CID 9833

Acetanilide, 2,4'-difluoro-

Structural Information

Molecular Formula
C8H7F2NO
SMILES
C1=CC(=CC=C1NC(=O)CF)F
InChI
InChI=1S/C8H7F2NO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
InChIKey
MKJKVKAZGNVUKW-UHFFFAOYSA-N
Compound name
2-fluoro-N-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

171.04958 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05686 130.7
[M+Na]+ 194.03880 138.8
[M-H]- 170.04230 132.0
[M+NH4]+ 189.08340 150.8
[M+K]+ 210.01274 136.6
[M+H-H2O]+ 154.04684 123.2
[M+HCOO]- 216.04778 154.0
[M+CH3COO]- 230.06343 181.0
[M+Na-2H]- 192.02425 136.6
[M]+ 171.04903 127.6
[M]- 171.05013 127.6
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