CID 69991

Benzyl methyl sulfoxide

Structural Information

Molecular Formula
C8H10OS
SMILES
CS(=O)CC1=CC=CC=C1
InChI
InChI=1S/C8H10OS/c1-10(9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
LISVNGUOWUKZQY-UHFFFAOYSA-N
Compound name
methylsulfinylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1248
Patents

154.04524 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05252 129.7
[M+Na]+ 177.03446 142.6
[M+NH4]+ 172.07906 139.6
[M+K]+ 193.00840 133.9
[M-H]- 153.03796 132.5
[M+Na-2H]- 175.01991 137.0
[M]+ 154.04469 132.9
[M]- 154.04579 132.9
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