CID 236735

Methyl 4-(2-chloroacetamido)benzoate

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
COC(=O)C1=CC=C(C=C1)NC(=O)CCl
InChI
InChI=1S/C10H10ClNO3/c1-15-10(14)7-2-4-8(5-3-7)12-9(13)6-11/h2-5H,6H2,1H3,(H,12,13)
InChIKey
UMSMQBDWLGSKCP-UHFFFAOYSA-N
Compound name
methyl 4-[(2-chloroacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

227.03493 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04221 145.8
[M+Na]+ 250.02415 153.8
[M-H]- 226.02765 149.7
[M+NH4]+ 245.06875 164.6
[M+K]+ 265.99809 150.9
[M+H-H2O]+ 210.03219 140.6
[M+HCOO]- 272.03313 165.8
[M+CH3COO]- 286.04878 188.9
[M+Na-2H]- 248.00960 150.2
[M]+ 227.03438 149.3
[M]- 227.03548 149.3
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