CID 22934746

[(4-chloro-3-fluorophenyl)carbamoyl]formic acid

Structural Information

Molecular Formula
C8H5ClFNO3
SMILES
C1=CC(=C(C=C1NC(=O)C(=O)O)F)Cl
InChI
InChI=1S/C8H5ClFNO3/c9-5-2-1-4(3-6(5)10)11-7(12)8(13)14/h1-3H,(H,11,12)(H,13,14)
InChIKey
WJQIBFYNJHMMLN-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-fluoroanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

216.9942 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.00148 139.2
[M+Na]+ 239.98342 150.0
[M+NH4]+ 235.02802 145.6
[M+K]+ 255.95736 145.6
[M-H]- 215.98692 138.4
[M+Na-2H]- 237.96887 143.9
[M]+ 216.99365 140.4
[M]- 216.99475 140.4
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