CID 67610

Fluorosulfuric acid, phenyl ester

Structural Information

Molecular Formula
C6H5FO3S
SMILES
C1=CC=C(C=C1)OS(=O)(=O)F
InChI
InChI=1S/C6H5FO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H
InChIKey
BDIBYQORZHGDIR-UHFFFAOYSA-N
Compound name
fluorosulfonyloxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

186
Patents

175.99434 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.00162 129.1
[M+Na]+ 198.98356 138.7
[M-H]- 174.98706 132.1
[M+NH4]+ 194.02816 149.7
[M+K]+ 214.95750 136.7
[M+H-H2O]+ 158.99160 123.0
[M+HCOO]- 220.99254 147.8
[M+CH3COO]- 235.00819 173.6
[M+Na-2H]- 196.96901 135.6
[M]+ 175.99379 131.3
[M]- 175.99489 131.3
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