CID 14516

Methyl phenyl sulfoxide

Structural Information

Molecular Formula
C7H8OS
SMILES
CS(=O)C1=CC=CC=C1
InChI
InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
JXTGICXCHWMCPM-UHFFFAOYSA-N
Compound name
methylsulfinylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

4261
Patents

140.02959 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03687 124.1
[M+Na]+ 163.01881 132.6
[M-H]- 139.02231 128.4
[M+NH4]+ 158.06341 146.3
[M+K]+ 178.99275 130.7
[M+H-H2O]+ 123.02685 118.9
[M+HCOO]- 185.02779 143.4
[M+CH3COO]- 199.04344 171.3
[M+Na-2H]- 161.00426 128.8
[M]+ 140.02904 125.6
[M]- 140.03014 125.6
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