CID 2827731

69570-82-7

Structural Information

Molecular Formula
C10H10FNO2S
SMILES
C1C(NC(S1)C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H10FNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)
InChIKey
GPKWJQGAXZSDCF-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

227.04163 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04891 146.4
[M+Na]+ 250.03085 153.9
[M-H]- 226.03435 148.1
[M+NH4]+ 245.07545 164.1
[M+K]+ 266.00479 149.4
[M+H-H2O]+ 210.03889 139.6
[M+HCOO]- 272.03983 159.2
[M+CH3COO]- 286.05548 180.9
[M+Na-2H]- 248.01630 145.1
[M]+ 227.04108 142.6
[M]- 227.04218 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe