CID 2304955

Methyl 3-(2-chloroacetamido)benzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

227.03493 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe