CID 5357730

Ethenesulfonyl fluoride, 2-phenyl-

Structural Information

Molecular Formula
C8H7FO2S
SMILES
C1=CC=C(C=C1)/C=C/S(=O)(=O)F
InChI
InChI=1S/C8H7FO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKey
VDCNEIUADPFQPG-VOTSOKGWSA-N
Compound name
(E)-2-phenylethenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

186.01508 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.022356 133.8
[M+Na]+ 209.004298 143.2
[M-H]- 185.007804 136.7
[M+NH4]+ 204.048903 154.1
[M+K]+ 224.978238 139.6
[M+H-H2O]+ 169.012340 127.8
[M+HCOO]- 231.013281 151.9
[M+CH3COO]- 245.028931 176.0
[M+Na-2H]- 206.989746 139.2
[M]+ 186.01453142 134.6
[M]- 186.01562858 134.6
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