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

149
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 138.3
[M+Na]+ 211.01995 149.6
[M+NH4]+ 206.06455 146.2
[M+K]+ 226.99389 141.8
[M-H]- 187.02345 138.2
[M+Na-2H]- 209.00540 144.2
[M]+ 188.03018 140.2
[M]- 188.03128 140.2
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

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