CID 4184753

(4-iodophenyl)diphenylsulfonium triflate

Structural Information

Molecular Formula
C18H14IS
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)I
InChI
InChI=1S/C18H14IS/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
KXZPXLJMPAZPLV-UHFFFAOYSA-N
Compound name
(4-iodophenyl)-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

799
Patents

388.98608 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.99336 175.8
[M+Na]+ 411.97530 175.4
[M-H]- 387.97880 177.6
[M+NH4]+ 407.01990 186.2
[M+K]+ 427.94924 170.1
[M+H-H2O]+ 371.98334 166.1
[M+HCOO]- 433.98428 188.4
[M+CH3COO]- 447.99993 200.0
[M+Na-2H]- 409.96075 169.0
[M]+ 388.98553 171.4
[M]- 388.98663 171.4
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