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

163
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

literature stripe

Patent stripe

patents stripe