CID 12409711

368-91-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
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

literature stripe

Patent stripe

patents stripe