CID 85330

Allyl phenyl sulfone

Structural Information

Molecular Formula
C9H10O2S
SMILES
C=CCS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKey
KYPIULIVYSQNNT-UHFFFAOYSA-N
Compound name
prop-2-enylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1453
Patents

182.04015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.047426 135.8
[M+Na]+ 205.029368 144.7
[M-H]- 181.032874 139.9
[M+NH4]+ 200.073973 156.3
[M+K]+ 221.003308 141.3
[M+H-H2O]+ 165.037410 130.6
[M+HCOO]- 227.038351 154.7
[M+CH3COO]- 241.054001 177.0
[M+Na-2H]- 203.014816 141.3
[M]+ 182.03960142 138.2
[M]- 182.04069858 138.2
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

patents stripe