CID 2724211

33462-81-6

Structural Information

Molecular Formula
C15H15S
SMILES
C1CC1[S+](C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H15S/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/q+1
InChIKey
VLBAODADJZKAEV-UHFFFAOYSA-N
Compound name
cyclopropyl(diphenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

393
Patents

227.08945 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09673 136.9
[M+Na]+ 250.07867 144.7
[M-H]- 226.08217 147.2
[M+NH4]+ 245.12327 150.2
[M+K]+ 266.05261 135.8
[M+H-H2O]+ 210.08671 132.1
[M+HCOO]- 272.08765 156.0
[M+CH3COO]- 286.10330 185.4
[M+Na-2H]- 248.06412 143.8
[M]+ 227.08890 137.4
[M]- 227.09000 137.4
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