CID 4183587

169120-70-1

Structural Information

Molecular Formula
C10H9FN2O
SMILES
C1=CC(=CC=C1CNC(=O)CC#N)F
InChI
InChI=1S/C10H9FN2O/c11-9-3-1-8(2-4-9)7-13-10(14)5-6-12/h1-4H,5,7H2,(H,13,14)
InChIKey
JMWIYDKCDJIKLV-UHFFFAOYSA-N
Compound name
2-cyano-N-[(4-fluorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

192.06989 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.077166 140.8
[M+Na]+ 215.059108 149.9
[M-H]- 191.062614 142.7
[M+NH4]+ 210.103713 158.0
[M+K]+ 231.033048 146.8
[M+H-H2O]+ 175.067150 127.4
[M+HCOO]- 237.068091 160.8
[M+CH3COO]- 251.083741 197.4
[M+Na-2H]- 213.044556 145.7
[M]+ 192.06934142 134.5
[M]- 192.07043858 134.5
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