CID 679228

363-34-8

Structural Information

Molecular Formula
C9H8FNO3
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)O)F
InChI
InChI=1S/C9H8FNO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKey
QPLHHPDONGSZNY-UHFFFAOYSA-N
Compound name
2-[(2-fluorobenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

17
Patents

197.04883 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05611 138.3
[M+Na]+ 220.03805 145.4
[M-H]- 196.04155 139.5
[M+NH4]+ 215.08265 156.4
[M+K]+ 236.01199 143.4
[M+H-H2O]+ 180.04609 131.5
[M+HCOO]- 242.04703 160.4
[M+CH3COO]- 256.06268 182.9
[M+Na-2H]- 218.02350 142.5
[M]+ 197.04828 136.4
[M]- 197.04938 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe