CID 24212693

(acetyl-3-chloroanilino)acetic acid

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
CC(=O)N(CC(=O)O)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C10H10ClNO3/c1-7(13)12(6-10(14)15)9-4-2-3-8(11)5-9/h2-5H,6H2,1H3,(H,14,15)
InChIKey
VDASTFKYVVCCAL-UHFFFAOYSA-N
Compound name
2-(N-acetyl-3-chloroanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03493 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.042206 145.3
[M+Na]+ 250.024148 152.9
[M-H]- 226.027654 149.2
[M+NH4]+ 245.068753 163.9
[M+K]+ 265.998088 150.6
[M+H-H2O]+ 210.032190 140.3
[M+HCOO]- 272.033131 164.3
[M+CH3COO]- 286.048781 190.5
[M+Na-2H]- 248.009596 148.6
[M]+ 227.03438142 148.4
[M]- 227.03547858 148.4
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.