CID 17834769

Diphenyl(2,4,6-trimethylphenyl)sulfanium

Structural Information

Molecular Formula
C21H21S
SMILES
CC1=CC(=C(C(=C1)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C21H21S/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3/q+1
InChIKey
LSSYNNOILRNWCJ-UHFFFAOYSA-N
Compound name
diphenyl-(2,4,6-trimethylphenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

985
Patents

305.13638 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14366 173.7
[M+Na]+ 328.12560 181.1
[M-H]- 304.12910 183.8
[M+NH4]+ 323.17020 188.8
[M+K]+ 344.09954 169.3
[M+H-H2O]+ 288.13364 167.8
[M+HCOO]- 350.13458 190.6
[M+CH3COO]- 364.15023 200.4
[M+Na-2H]- 326.11105 176.2
[M]+ 305.13583 173.9
[M]- 305.13693 173.9
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