CID 3823803

24522-30-3

Structural Information

Molecular Formula
C10H7F3N2O
SMILES
C1=CC(=CC=C1C(F)(F)F)NC(=O)CC#N
InChI
InChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
InChIKey
JBNCFFDGYDZEEN-UHFFFAOYSA-N
Compound name
2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

121
Patents

228.05104 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05832 146.1
[M+Na]+ 251.04026 155.3
[M-H]- 227.04376 145.6
[M+NH4]+ 246.08486 161.8
[M+K]+ 267.01420 152.2
[M+H-H2O]+ 211.04830 131.3
[M+HCOO]- 273.04924 162.7
[M+CH3COO]- 287.06489 202.0
[M+Na-2H]- 249.02571 150.3
[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

literature stripe

Patent stripe

patents stripe