CID 66895238

Sodium 3,4,5-trifluorobenzene-1-sulfinate

Structural Information

Molecular Formula
C6H3F3O2S
SMILES
C1=C(C=C(C(=C1F)F)F)S(=O)O
InChI
InChI=1S/C6H3F3O2S/c7-4-1-3(12(10)11)2-5(8)6(4)9/h1-2H,(H,10,11)
InChIKey
YUHFYFFFPGHEPF-UHFFFAOYSA-N
Compound name
3,4,5-trifluorobenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.98059 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.987866 128.1
[M+Na]+ 218.969808 139.0
[M-H]- 194.973314 127.7
[M+NH4]+ 214.014413 147.8
[M+K]+ 234.943748 135.5
[M+H-H2O]+ 178.977850 120.7
[M+HCOO]- 240.978791 143.1
[M+CH3COO]- 254.994441 179.3
[M+Na-2H]- 216.955256 129.3
[M]+ 195.98004142 126.5
[M]- 195.98113858 126.5
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

No patent data available for this compound.