CID 91392489

3-chloro-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide

Structural Information

Molecular Formula
C12H10ClF3N2O2
SMILES
CC(CCl)(C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F)O
InChI
InChI=1S/C12H10ClF3N2O2/c1-11(20,6-13)10(19)18-8-3-2-7(5-17)9(4-8)12(14,15)16/h2-4,20H,6H2,1H3,(H,18,19)
InChIKey
SESZJEZURRRLMD-UHFFFAOYSA-N
Compound name
3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.0383 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04558 164.8
[M+Na]+ 329.02752 174.7
[M-H]- 305.03102 163.5
[M+NH4]+ 324.07212 178.2
[M+K]+ 345.00146 169.9
[M+H-H2O]+ 289.03556 151.5
[M+HCOO]- 351.03650 174.3
[M+CH3COO]- 365.05215 211.8
[M+Na-2H]- 327.01297 167.4
[M]+ 306.03775 157.7
[M]- 306.03885 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe