CID 12409713

2-phenylethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C8H9FO2S
SMILES
C1=CC=C(C=C1)CCS(=O)(=O)F
InChI
InChI=1S/C8H9FO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
BXUZCKBEUHXHQB-UHFFFAOYSA-N
Compound name
2-phenylethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

188.03073 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03801 134.7
[M+Na]+ 211.01995 143.6
[M-H]- 187.02345 137.4
[M+NH4]+ 206.06455 154.9
[M+K]+ 226.99389 140.7
[M+H-H2O]+ 171.02799 128.5
[M+HCOO]- 233.02893 152.6
[M+CH3COO]- 247.04458 177.6
[M+Na-2H]- 209.00540 140.0
[M]+ 188.03018 136.3
[M]- 188.03128 136.3
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

No patent data available for this compound.