CID 4563894

3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H10ClNO3S
SMILES
C1C(N(CS1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C11H10ClNO3S/c12-8-3-1-7(2-4-8)10(14)13-6-17-5-9(13)11(15)16/h1-4,9H,5-6H2,(H,15,16)
InChIKey
SUAAPVQQVPKSHG-UHFFFAOYSA-N
Compound name
3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.007 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.014276 157.0
[M+Na]+ 293.996218 165.0
[M-H]- 269.999724 161.5
[M+NH4]+ 289.040823 174.4
[M+K]+ 309.970158 160.5
[M+H-H2O]+ 254.004260 151.6
[M+HCOO]- 316.005201 166.9
[M+CH3COO]- 330.020851 189.0
[M+Na-2H]- 291.981666 154.9
[M]+ 271.00645142 158.4
[M]- 271.00754858 158.4
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.