CID 2783198

(4-tert-butylphenyl)diphenylsulfonium triflate

Structural Information

Molecular Formula
C22H23S
SMILES
CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H23S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,1-3H3/q+1
InChIKey
MFNBODQBPMDPPQ-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl)-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6575
Patents

319.15204 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15932 178.8
[M+Na]+ 342.14126 184.6
[M-H]- 318.14476 188.3
[M+NH4]+ 337.18586 193.0
[M+K]+ 358.11520 173.0
[M+H-H2O]+ 302.14930 172.9
[M+HCOO]- 364.15024 194.0
[M+CH3COO]- 378.16589 200.9
[M+Na-2H]- 340.12671 183.1
[M]+ 319.15149 178.0
[M]- 319.15259 178.0
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