Cyflufenamid (C20H17F5N2O2)

Structural Information

Molecular Formula

SMILES

C1CC1CO/N=C(/C2=C(C=CC(=C2F)F)C(F)(F)F)\NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)

InChIKey

ACMXQHFNODYQAT-UHFFFAOYSA-N

Compound name

N-[(Z)-N-(cyclopropylmethoxy)-C-[2,3-difluoro-6-(trifluoromethyl)phenyl]carbonimidoyl]-2-phenylacetamide

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]+	413.12831	180.7
[M+Na]+	435.11025	188.3
[M-H]-	411.11375	185.4
[M+NH4]+	430.15485	186.5
[M+K]+	451.08419	182.2
[M+H-H2O]+	395.11829	167.7
[M+HCOO]-	457.11923	199.2
[M+CH3COO]-	471.13488	230.9
[M+Na-2H]-	433.09570	181.4
[M]+	412.12048	178.6
[M]-	412.12158	178.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.12831

180.7

[M+Na]+

435.11025

188.3

[M-H]-

411.11375

185.4

[M+NH4]+

430.15485

186.5

[M+K]+

451.08419

182.2

[M+H-H2O]+

395.11829

167.7

[M+HCOO]-

457.11923

199.2

[M+CH3COO]-

471.13488

230.9

[M+Na-2H]-

433.09570

181.4

[M]+

412.12048

178.6

[M]-

412.12158

178.6

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

Cyflufenamid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe