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 128.1
[M+Na]+ 218.96981 139.0
[M-H]- 194.97331 127.7
[M+NH4]+ 214.01441 147.8
[M+K]+ 234.94375 135.5
[M+H-H2O]+ 178.97785 120.7
[M+HCOO]- 240.97879 143.1
[M+CH3COO]- 254.99444 179.3
[M+Na-2H]- 216.95526 129.3
[M]+ 195.98004 126.5
[M]- 195.98114 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.