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

83
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

literature stripe

Patent stripe

patents stripe