CID 155973437

Lithium(1+) 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate

Structural Information

Molecular Formula
C5H5F2NO2S2
SMILES
CC(C1=NC=C(S1)S(=O)O)(F)F
InChI
InChI=1S/C5H5F2NO2S2/c1-5(6,7)4-8-2-3(11-4)12(9)10/h2H,1H3,(H,9,10)
InChIKey
RQWRUQPTXSCMAY-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.97298 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98026 136.7
[M+Na]+ 235.96220 146.7
[M-H]- 211.96570 135.7
[M+NH4]+ 231.00680 155.9
[M+K]+ 251.93614 143.1
[M+H-H2O]+ 195.97024 130.2
[M+HCOO]- 257.97118 145.6
[M+CH3COO]- 271.98683 179.1
[M+Na-2H]- 233.94765 136.4
[M]+ 212.97243 136.9
[M]- 212.97353 136.9
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.