CID 3573834

(4-bromophenyl)diphenylsulfonium triflate

Structural Information

Molecular Formula
C18H14BrS
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H14BrS/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q+1
InChIKey
SQJZJQJVWLTJNC-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

527
Patents

340.99997 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.00725 166.8
[M+Na]+ 363.98919 177.0
[M-H]- 339.99269 179.0
[M+NH4]+ 359.03379 184.0
[M+K]+ 379.96313 158.9
[M+H-H2O]+ 323.99723 168.5
[M+HCOO]- 385.99817 183.0
[M+CH3COO]- 400.01382 198.8
[M+Na-2H]- 361.97464 173.7
[M]+ 340.99942 184.5
[M]- 341.00052 184.5
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