CID 18369

Methyl phenyl sulfone

Structural Information

Molecular Formula
C7H8O2S
SMILES
CS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
JCDWETOKTFWTHA-UHFFFAOYSA-N
Compound name
methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

12808
Patents

156.0245 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.03178 130.1
[M+Na]+ 179.01372 142.7
[M+NH4]+ 174.05832 139.1
[M+K]+ 194.98766 135.0
[M-H]- 155.01722 131.7
[M+Na-2H]- 176.99917 137.1
[M]+ 156.02395 132.9
[M]- 156.02505 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