PubChemLite - Fenaminstrobin (C21H21Cl2N3O3)

Structural Information

Molecular Formula

SMILES

C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)NC)/C=C/C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O3/c1-14(11-12-17-18(22)9-6-10-19(17)23)25-29-13-15-7-4-5-8-16(15)20(26-28-3)21(27)24-2/h4-12H,13H2,1-3H3,(H,24,27)/b12-11+,25-14+,26-20+

InChIKey

RBWGTZRSEOIHFD-UHUFKFKFSA-N

Compound name

(2E)-2-[2-[[(E)-[(E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

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]+	434.10328	203.9
[M+Na]+	456.08522	210.0
[M-H]-	432.08872	212.1
[M+NH4]+	451.12982	215.4
[M+K]+	472.05916	204.3
[M+H-H2O]+	416.09326	195.8
[M+HCOO]-	478.09420	220.8
[M+CH3COO]-	492.10985	236.6
[M+Na-2H]-	454.07067	203.3
[M]+	433.09545	211.4
[M]-	433.09655	211.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

434.10328

203.9

[M+Na]+

456.08522

210.0

[M-H]-

432.08872

212.1

[M+NH4]+

451.12982

215.4

[M+K]+

472.05916

204.3

[M+H-H2O]+

416.09326

195.8

[M+HCOO]-

478.09420

220.8

[M+CH3COO]-

492.10985

236.6

[M+Na-2H]-

454.07067

203.3

[M]+

433.09545

211.4

[M]-

433.09655

211.4

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

Fenaminstrobin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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