PubChemLite - Benzamide, 2-nitro-n-(((3-nitro-4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)amino)carbonyl)- (C20H12F3N5O7)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H12F3N5O7/c21-20(22,23)11-5-8-17(24-10-11)35-16-7-6-12(9-15(16)28(33)34)25-19(30)26-18(29)13-3-1-2-4-14(13)27(31)32/h1-10H,(H2,25,26,29,30)

InChIKey

DXSZRDRRNLEQHA-UHFFFAOYSA-N

Compound name

2-nitro-N-[[3-nitro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]benzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	492.07616	199.5
[M+Na]+	514.05810	201.2
[M-H]-	490.06160	203.9
[M+NH4]+	509.10270	201.3
[M+K]+	530.03204	189.9
[M+H-H2O]+	474.06614	194.4
[M+HCOO]-	536.06708	218.5
[M+CH3COO]-	550.08273	226.9
[M+Na-2H]-	512.04355	207.9
[M]+	491.06833	192.7
[M]-	491.06943	192.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.07616

199.5

[M+Na]+

514.05810

201.2

[M-H]-

490.06160

203.9

[M+NH4]+

509.10270

201.3

[M+K]+

530.03204

189.9

[M+H-H2O]+

474.06614

194.4

[M+HCOO]-

536.06708

218.5

[M+CH3COO]-

550.08273

226.9

[M+Na-2H]-

512.04355

207.9

[M]+

491.06833

192.7

[M]-

491.06943

192.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Benzamide, 2-nitro-n-(((3-nitro-4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)amino)carbonyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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