CID 26009

13450-77-6

Structural Information

Molecular Formula
C9H8ClNO3
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)O)Cl
InChI
InChI=1S/C9H8ClNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKey
COYZIYOEXGRBHQ-UHFFFAOYSA-N
Compound name
2-[(4-chlorobenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

96
Patents

213.01927 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02655 141.3
[M+Na]+ 236.00849 149.2
[M-H]- 212.01199 143.9
[M+NH4]+ 231.05309 159.8
[M+K]+ 251.98243 145.7
[M+H-H2O]+ 196.01653 136.6
[M+HCOO]- 258.01747 160.1
[M+CH3COO]- 272.03312 184.0
[M+Na-2H]- 233.99394 145.8
[M]+ 213.01872 142.7
[M]- 213.01982 142.7
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

No patent data available for this compound.