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]+ 228.04221 145.3
[M+Na]+ 250.02415 152.9
[M-H]- 226.02765 149.2
[M+NH4]+ 245.06875 163.9
[M+K]+ 265.99809 150.6
[M+H-H2O]+ 210.03219 140.3
[M+HCOO]- 272.03313 164.3
[M+CH3COO]- 286.04878 190.5
[M+Na-2H]- 248.00960 148.6
[M]+ 227.03438 148.4
[M]- 227.03548 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.