CID 2736741

N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

228.05104 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe