CID 7745000

(2s,4r)-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C5H6F3NO2S
SMILES
C1[C@H](N[C@@H](S1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C5H6F3NO2S/c6-5(7,8)4-9-2(1-12-4)3(10)11/h2,4,9H,1H2,(H,10,11)/t2-,4-/m0/s1
InChIKey
WJKBKOHUPXFCJI-OKKQSCSOSA-N
Compound name
(2S,4R)-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.00714 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.01442 136.0
[M+Na]+ 223.99636 143.5
[M-H]- 199.99986 131.7
[M+NH4]+ 219.04096 154.5
[M+K]+ 239.97030 140.6
[M+H-H2O]+ 184.00440 128.8
[M+HCOO]- 246.00534 145.0
[M+CH3COO]- 260.02099 174.4
[M+Na-2H]- 221.98181 135.1
[M]+ 201.00659 129.2
[M]- 201.00769 129.2
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.