CID 79664

Phenyl vinyl sulfone

Structural Information

Molecular Formula
C8H8O2S
SMILES
C=CS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
InChIKey
UJTPZISIAWDGFF-UHFFFAOYSA-N
Compound name
ethenylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

2352
Patents

168.0245 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03178 131.3
[M+Na]+ 191.01372 140.5
[M-H]- 167.01722 135.6
[M+NH4]+ 186.05832 152.4
[M+K]+ 206.98766 137.4
[M+H-H2O]+ 151.02176 126.3
[M+HCOO]- 213.02270 150.4
[M+CH3COO]- 227.03835 173.9
[M+Na-2H]- 188.99917 137.2
[M]+ 168.02395 133.3
[M]- 168.02505 133.3
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