CID 223109

N-(3,4-difluorophenyl)acetamide

Structural Information

Molecular Formula
C8H7F2NO
SMILES
CC(=O)NC1=CC(=C(C=C1)F)F
InChI
InChI=1S/C8H7F2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12)
InChIKey
PSXXZHPJADTUNB-UHFFFAOYSA-N
Compound name
N-(3,4-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

171.04958 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05686 130.3
[M+Na]+ 194.03880 139.3
[M-H]- 170.04230 132.0
[M+NH4]+ 189.08340 150.7
[M+K]+ 210.01274 137.1
[M+H-H2O]+ 154.04684 123.0
[M+HCOO]- 216.04778 153.5
[M+CH3COO]- 230.06343 182.1
[M+Na-2H]- 192.02425 135.5
[M]+ 171.04903 127.5
[M]- 171.05013 127.5
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