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

12
Patents

171.04958 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.056856 130.7
[M+Na]+ 194.038798 138.8
[M-H]- 170.042304 132.0
[M+NH4]+ 189.083403 150.8
[M+K]+ 210.012738 136.6
[M+H-H2O]+ 154.046840 123.2
[M+HCOO]- 216.047781 154.0
[M+CH3COO]- 230.063431 181.0
[M+Na-2H]- 192.024246 136.6
[M]+ 171.04903142 127.6
[M]- 171.05012858 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