CID 67779

Benzenesulfonyl fluoride

Structural Information

Molecular Formula
C6H5FO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)F
InChI
InChI=1S/C6H5FO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
InChIKey
IDIPWEYIBKUDNY-UHFFFAOYSA-N
Compound name
benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

1809
Patents

159.99944 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.00672 125.5
[M+Na]+ 182.98866 135.3
[M-H]- 158.99216 128.7
[M+NH4]+ 178.03326 146.9
[M+K]+ 198.96260 132.9
[M+H-H2O]+ 142.99670 119.7
[M+HCOO]- 204.99764 144.1
[M+CH3COO]- 219.01329 171.5
[M+Na-2H]- 180.97411 131.9
[M]+ 159.99889 126.4
[M]- 159.99999 126.4
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