CID 99276

Benzylvinylsulfoxide

Structural Information

Molecular Formula
C9H10OS
SMILES
C=CS(=O)CC1=CC=CC=C1
InChI
InChI=1S/C9H10OS/c1-2-11(10)8-9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKey
SMWJPJLZIVEXKQ-UHFFFAOYSA-N
Compound name
ethenylsulfinylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

166.04524 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05252 133.8
[M+Na]+ 189.03446 146.4
[M+NH4]+ 184.07906 143.1
[M+K]+ 205.00840 137.4
[M-H]- 165.03796 136.3
[M+Na-2H]- 187.01991 140.6
[M]+ 166.04469 136.8
[M]- 166.04579 136.8
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