CID 236742

Ethyl2-[(chloroacetyl)amino]benzoate

Structural Information

Molecular Formula
C11H12ClNO3
SMILES
CCOC(=O)C1=CC=CC=C1NC(=O)CCl
InChI
InChI=1S/C11H12ClNO3/c1-2-16-11(15)8-5-3-4-6-9(8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKey
XTGWPJKSHKMRJJ-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chloroacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.05057 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05785 150.5
[M+Na]+ 264.03979 158.0
[M-H]- 240.04329 154.2
[M+NH4]+ 259.08439 168.7
[M+K]+ 280.01373 154.9
[M+H-H2O]+ 224.04783 145.1
[M+HCOO]- 286.04877 170.1
[M+CH3COO]- 300.06442 191.9
[M+Na-2H]- 262.02524 154.4
[M]+ 241.05002 154.4
[M]- 241.05112 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe