CID 61344

Triphenylsulfonium

Structural Information

Molecular Formula
C18H15S
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H15S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H/q+1
InChIKey
WLOQLWBIJZDHET-UHFFFAOYSA-N
Compound name
triphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

49178
Patents

263.08945 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09673 161.5
[M+Na]+ 286.07867 167.7
[M-H]- 262.08217 171.1
[M+NH4]+ 281.12327 177.4
[M+K]+ 302.05261 156.5
[M+H-H2O]+ 246.08671 155.9
[M+HCOO]- 308.08765 179.5
[M+CH3COO]- 322.10330 188.6
[M+Na-2H]- 284.06412 167.5
[M]+ 263.08890 159.5
[M]- 263.09000 159.5
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