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]+ 196.98787 139.5
[M+Na]+ 218.96981 148.8
[M+NH4]+ 214.01441 145.4
[M+K]+ 234.94375 142.5
[M-H]- 194.97331 136.4
[M+Na-2H]- 216.95526 142.4
[M]+ 195.98004 140.0
[M]- 195.98114 140.0
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.