CID 22136341

2-(2,4-difluorophenyl)acetamide

Structural Information

Molecular Formula
C8H7F2NO
SMILES
C1=CC(=C(C=C1F)F)CC(=O)N
InChI
InChI=1S/C8H7F2NO/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H2,11,12)
InChIKey
SJSQINDQCWKFAM-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

171.04958 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05686 130.7
[M+Na]+ 194.03880 139.7
[M-H]- 170.04230 131.9
[M+NH4]+ 189.08340 150.8
[M+K]+ 210.01274 137.1
[M+H-H2O]+ 154.04684 123.5
[M+HCOO]- 216.04778 153.3
[M+CH3COO]- 230.06343 182.2
[M+Na-2H]- 192.02425 134.8
[M]+ 171.04903 127.0
[M]- 171.05013 127.0
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