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]+ 272.01428 157.0
[M+Na]+ 293.99622 165.0
[M-H]- 269.99972 161.5
[M+NH4]+ 289.04082 174.4
[M+K]+ 309.97016 160.5
[M+H-H2O]+ 254.00426 151.6
[M+HCOO]- 316.00520 166.9
[M+CH3COO]- 330.02085 189.0
[M+Na-2H]- 291.98167 154.9
[M]+ 271.00645 158.4
[M]- 271.00755 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.