CID 23191629

1-ethenyl-4-methanesulfonylbenzene

Structural Information

Molecular Formula
C9H10O2S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C=C
InChI
InChI=1S/C9H10O2S/c1-3-8-4-6-9(7-5-8)12(2,10)11/h3-7H,1H2,2H3
InChIKey
BFMBTATYOXZSJD-UHFFFAOYSA-N
Compound name
1-ethenyl-4-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

182.04015 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.047426 134.8
[M+Na]+ 205.029368 144.5
[M-H]- 181.032874 139.3
[M+NH4]+ 200.073973 155.6
[M+K]+ 221.003308 141.1
[M+H-H2O]+ 165.037410 129.8
[M+HCOO]- 227.038351 153.6
[M+CH3COO]- 241.054001 178.1
[M+Na-2H]- 203.014816 139.6
[M]+ 182.03960142 137.6
[M]- 182.04069858 137.6
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