CID 67362750

Sodium 3-fluoro-5-methylbenzene-1-sulfinate

Structural Information

Molecular Formula
C7H7FO2S
SMILES
CC1=CC(=CC(=C1)S(=O)O)F
InChI
InChI=1S/C7H7FO2S/c1-5-2-6(8)4-7(3-5)11(9)10/h2-4H,1H3,(H,9,10)
InChIKey
CRLFKEYLPYUSRL-UHFFFAOYSA-N
Compound name
3-fluoro-5-methylbenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.01508 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02236 132.7
[M+Na]+ 197.00430 144.4
[M+NH4]+ 192.04890 140.8
[M+K]+ 212.97824 137.2
[M-H]- 173.00780 132.9
[M+Na-2H]- 194.98975 137.8
[M]+ 174.01453 134.8
[M]- 174.01563 134.8
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.