CID 500302

2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C10H10ClNO2S
SMILES
C1C(NC(S1)C2=CC=CC=C2Cl)C(=O)O
InChI
InChI=1S/C10H10ClNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)
InChIKey
JMNONJXMGLSVNV-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

243.01208 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.01936 150.3
[M+Na]+ 266.00130 158.5
[M-H]- 242.00480 153.4
[M+NH4]+ 261.04590 168.3
[M+K]+ 281.97524 152.8
[M+H-H2O]+ 226.00934 145.3
[M+HCOO]- 288.01028 159.6
[M+CH3COO]- 302.02593 182.1
[M+Na-2H]- 263.98675 149.2
[M]+ 243.01153 149.5
[M]- 243.01263 149.5
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

patents stripe