CID 16227031

2-[4-(2-chloroacetamido)phenyl]acetic acid

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
C1=CC(=CC=C1CC(=O)O)NC(=O)CCl
InChI
InChI=1S/C10H10ClNO3/c11-6-9(13)12-8-3-1-7(2-4-8)5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKey
DMQOFZHHYJUHLL-UHFFFAOYSA-N
Compound name
2-[4-[(2-chloroacetyl)amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.03493 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04221 146.0
[M+Na]+ 250.02415 153.4
[M-H]- 226.02765 148.4
[M+NH4]+ 245.06875 163.9
[M+K]+ 265.99809 149.7
[M+H-H2O]+ 210.03219 141.0
[M+HCOO]- 272.03313 164.4
[M+CH3COO]- 286.04878 187.0
[M+Na-2H]- 248.00960 149.9
[M]+ 227.03438 147.7
[M]- 227.03548 147.7
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