CID 4191417

(4-methylphenyl)diphenylsulfonium triflate

Structural Information

Molecular Formula
C19H17S
SMILES
CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3/q+1
InChIKey
RCOCMILJXXUEHU-UHFFFAOYSA-N
Compound name
(4-methylphenyl)-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5519
Patents

277.1051 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11238 165.6
[M+Na]+ 300.09432 172.3
[M-H]- 276.09782 175.4
[M+NH4]+ 295.13892 181.3
[M+K]+ 316.06826 160.9
[M+H-H2O]+ 260.10236 160.0
[M+HCOO]- 322.10330 183.3
[M+CH3COO]- 336.11895 192.5
[M+Na-2H]- 298.07977 170.5
[M]+ 277.10455 164.4
[M]- 277.10565 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe