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

22
Patents

197.04883 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.056106 137.8
[M+Na]+ 220.038048 145.8
[M-H]- 196.041554 139.4
[M+NH4]+ 215.082653 156.2
[M+K]+ 236.011988 143.9
[M+H-H2O]+ 180.046090 131.3
[M+HCOO]- 242.047031 159.9
[M+CH3COO]- 256.062681 184.1
[M+Na-2H]- 218.023496 141.3
[M]+ 197.04828142 136.2
[M]- 197.04937858 136.2
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