CID 2736740

175277-96-0

Structural Information

Molecular Formula
C10H7F3N2O
SMILES
CC(=O)NC1=C(C=C(C=C1)C#N)C(F)(F)F
InChI
InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKey
OBFBGHKUUCGSPC-UHFFFAOYSA-N
Compound name
N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

228.05104 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.058316 145.8
[M+Na]+ 251.040258 155.8
[M-H]- 227.043764 145.7
[M+NH4]+ 246.084863 161.8
[M+K]+ 267.014198 152.8
[M+H-H2O]+ 211.048300 131.3
[M+HCOO]- 273.049241 162.4
[M+CH3COO]- 287.064891 203.1
[M+Na-2H]- 249.025706 149.4
[M]+ 228.05049142 136.9
[M]- 228.05158858 136.9
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