PubChemLite - Trifloxystrobin tp3 (C19H17F3N2O4)

Structural Information

Molecular Formula

SMILES

C/C(=N/OCC1=CC=CC=C1/C(=N/OC)/C(=O)O)/C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C19H17F3N2O4/c1-12(13-7-5-8-15(10-13)19(20,21)22)23-28-11-14-6-3-4-9-16(14)17(18(25)26)24-27-2/h3-10H,11H2,1-2H3,(H,25,26)/b23-12-,24-17-

InChIKey

ISZQNKFXNXQTTF-QNBZCDOMSA-N

Compound name

(2Z)-2-methoxyimino-2-[2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetic acid

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]+	395.12132	188.7
[M+Na]+	417.10326	193.9
[M-H]-	393.10676	192.4
[M+NH4]+	412.14786	199.3
[M+K]+	433.07720	191.3
[M+H-H2O]+	377.11130	177.0
[M+HCOO]-	439.11224	208.4
[M+CH3COO]-	453.12789	226.6
[M+Na-2H]-	415.08871	189.6
[M]+	394.11349	188.3
[M]-	394.11459	188.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.12132

188.7

[M+Na]+

417.10326

193.9

[M-H]-

393.10676

192.4

[M+NH4]+

412.14786

199.3

[M+K]+

433.07720

191.3

[M+H-H2O]+

377.11130

177.0

[M+HCOO]-

439.11224

208.4

[M+CH3COO]-

453.12789

226.6

[M+Na-2H]-

415.08871

189.6

[M]+

394.11349

188.3

[M]-

394.11459

188.3

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

Trifloxystrobin tp3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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