CID 89056283

Methyl 3-fluorobenzene-1-sulfonate

Structural Information

Molecular Formula
C7H7FO3S
SMILES
COS(=O)(=O)C1=CC=CC(=C1)F
InChI
InChI=1S/C7H7FO3S/c1-11-12(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
KLINELVCVRRAJI-UHFFFAOYSA-N
Compound name
methyl 3-fluorobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

190.01 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01728 132.8
[M+Na]+ 212.99922 142.9
[M-H]- 189.00272 136.1
[M+NH4]+ 208.04382 153.2
[M+K]+ 228.97316 140.7
[M+H-H2O]+ 173.00726 126.8
[M+HCOO]- 235.00820 151.2
[M+CH3COO]- 249.02385 177.7
[M+Na-2H]- 210.98467 138.2
[M]+ 190.00945 135.8
[M]- 190.01055 135.8
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

patents stripe