CID 22642487

1-phenylethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C8H9FO2S
SMILES
CC(C1=CC=CC=C1)S(=O)(=O)F
InChI
InChI=1S/C8H9FO2S/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
YUHQONKVKQCZRU-UHFFFAOYSA-N
Compound name
1-phenylethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

188.03073 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03801 134.4
[M+Na]+ 211.01995 143.0
[M-H]- 187.02345 137.3
[M+NH4]+ 206.06455 154.6
[M+K]+ 226.99389 140.6
[M+H-H2O]+ 171.02799 128.3
[M+HCOO]- 233.02893 151.3
[M+CH3COO]- 247.04458 178.4
[M+Na-2H]- 209.00540 138.7
[M]+ 188.03018 135.4
[M]- 188.03128 135.4
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