CID 16481156

2-[(2-fluorophenyl)carbamoyl]acetic acid

Structural Information

Molecular Formula
C9H8FNO3
SMILES
C1=CC=C(C(=C1)NC(=O)CC(=O)O)F
InChI
InChI=1S/C9H8FNO3/c10-6-3-1-2-4-7(6)11-8(12)5-9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)
InChIKey
XKNFEJCGPIJXKT-UHFFFAOYSA-N
Compound name
3-(2-fluoroanilino)-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

197.04883 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

patents stripe