CID 2735827

2-acetamido-5-fluorobenzoic acid

Structural Information

Molecular Formula
C9H8FNO3
SMILES
CC(=O)NC1=C(C=C(C=C1)F)C(=O)O
InChI
InChI=1S/C9H8FNO3/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKey
QNHDURZULPJHIT-UHFFFAOYSA-N
Compound name
2-acetamido-5-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

197.04883 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05611 140.3
[M+Na]+ 220.03805 150.1
[M+NH4]+ 215.08265 146.2
[M+K]+ 236.01199 146.2
[M-H]- 196.04155 139.4
[M+Na-2H]- 218.02350 144.5
[M]+ 197.04828 141.0
[M]- 197.04938 141.0
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