CID 425720

Dimethyl(phenyl)sulfonium

Structural Information

Molecular Formula
C8H11S
SMILES
C[S+](C)C1=CC=CC=C1
InChI
InChI=1S/C8H11S/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKey
GMEXDATVSHAMEP-UHFFFAOYSA-N
Compound name
dimethyl(phenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3209
Patents

139.05815 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06543 125.1
[M+Na]+ 162.04737 132.9
[M-H]- 138.05087 129.5
[M+NH4]+ 157.09197 147.2
[M+K]+ 178.02131 125.6
[M+H-H2O]+ 122.05541 122.7
[M+HCOO]- 184.05635 143.5
[M+CH3COO]- 198.07200 166.8
[M+Na-2H]- 160.03282 131.4
[M]+ 139.05760 124.8
[M]- 139.05870 124.8
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