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

15
Patents

228.05104 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05832 145.8
[M+Na]+ 251.04026 155.8
[M-H]- 227.04376 145.7
[M+NH4]+ 246.08486 161.8
[M+K]+ 267.01420 152.8
[M+H-H2O]+ 211.04830 131.3
[M+HCOO]- 273.04924 162.4
[M+CH3COO]- 287.06489 203.1
[M+Na-2H]- 249.02571 149.4
[M]+ 228.05049 136.9
[M]- 228.05159 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