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

720
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 171.9
[M+Na]+ 411.97530 182.9
[M+NH4]+ 407.01990 179.5
[M+K]+ 427.94924 174.8
[M-H]- 387.97880 175.6
[M+Na-2H]- 409.96075 173.0
[M]+ 388.98553 174.7
[M]- 388.98663 174.7
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