CID 57430805

3-methoxybenzenesulfonyl fluoride

Structural Information

Molecular Formula
C7H7FO3S
SMILES
COC1=CC(=CC=C1)S(=O)(=O)F
InChI
InChI=1S/C7H7FO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3
InChIKey
RGVNAVGZAZZJBS-UHFFFAOYSA-N
Compound name
3-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

190.01 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01728 137.3
[M+Na]+ 212.99922 148.7
[M+NH4]+ 208.04382 144.8
[M+K]+ 228.97316 141.8
[M-H]- 189.00272 136.8
[M+Na-2H]- 210.98467 142.7
[M]+ 190.00945 139.1
[M]- 190.01055 139.1
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