CID 2113385

4-chloro-3-(2-chloroacetamido)benzoic acid

Structural Information

Molecular Formula
C9H7Cl2NO3
SMILES
C1=CC(=C(C=C1C(=O)O)NC(=O)CCl)Cl
InChI
InChI=1S/C9H7Cl2NO3/c10-4-8(13)12-7-3-5(9(14)15)1-2-6(7)11/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKey
CQNMKYGPZOUVJF-UHFFFAOYSA-N
Compound name
4-chloro-3-[(2-chloroacetyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.9803 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.98758 145.9
[M+Na]+ 269.96952 155.1
[M-H]- 245.97302 148.3
[M+NH4]+ 265.01412 163.8
[M+K]+ 285.94346 150.2
[M+H-H2O]+ 229.97756 142.4
[M+HCOO]- 291.97850 159.7
[M+CH3COO]- 305.99415 189.9
[M+Na-2H]- 267.95497 149.1
[M]+ 246.97975 148.9
[M]- 246.98085 148.9
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.