CID 2113366

4-[(2-chloroacetamido)methyl]benzoic acid

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
C1=CC(=CC=C1CNC(=O)CCl)C(=O)O
InChI
InChI=1S/C10H10ClNO3/c11-5-9(13)12-6-7-1-3-8(4-2-7)10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKey
VZLSDUUGXHOISG-UHFFFAOYSA-N
Compound name
4-[[(2-chloroacetyl)amino]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03493 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04221 146.5
[M+Na]+ 250.02415 157.6
[M+NH4]+ 245.06875 153.4
[M+K]+ 265.99809 152.3
[M-H]- 226.02765 147.1
[M+Na-2H]- 248.00960 151.6
[M]+ 227.03438 148.2
[M]- 227.03548 148.2
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

No patent data available for this compound.