CID 43444982

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

Structural Information

Molecular Formula
C9H5ClN2O3
SMILES
C1=CC(=C(C=C1NC(=O)C(=O)O)Cl)C#N
InChI
InChI=1S/C9H5ClN2O3/c10-7-3-6(2-1-5(7)4-11)12-8(13)9(14)15/h1-3H,(H,12,13)(H,14,15)
InChIKey
KRCZWNYFBSUMLZ-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-cyanoanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.99887 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00615 144.3
[M+Na]+ 246.98809 155.1
[M+NH4]+ 242.03269 147.6
[M+K]+ 262.96203 147.5
[M-H]- 222.99159 137.7
[M+Na-2H]- 244.97354 146.8
[M]+ 223.99832 143.1
[M]- 223.99942 143.1
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