CID 2758718

10504-60-6

Structural Information

Molecular Formula
C13H13S
SMILES
C[S+](C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C13H13S/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3/q+1
InChIKey
BJMDYNHSWAKAMX-UHFFFAOYSA-N
Compound name
methyl(diphenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3282
Patents

201.07379 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08107 142.8
[M+Na]+ 224.06301 149.9
[M-H]- 200.06651 150.0
[M+NH4]+ 219.10761 162.0
[M+K]+ 240.03695 140.6
[M+H-H2O]+ 184.07105 138.9
[M+HCOO]- 246.07199 161.2
[M+CH3COO]- 260.08764 177.5
[M+Na-2H]- 222.04846 149.1
[M]+ 201.07324 141.9
[M]- 201.07434 141.9
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