CID 385952

2-iodophenyl disulfide

Structural Information

Molecular Formula
C12H8I2S2
SMILES
C1=CC=C(C(=C1)SSC2=CC=CC=C2I)I
InChI
InChI=1S/C12H8I2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H
InChIKey
XKXXKCBAWRUHRG-UHFFFAOYSA-N
Compound name
1-iodo-2-[(2-iodophenyl)disulfanyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

76
Patents

469.8157 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.82298 168.3
[M+Na]+ 492.80492 162.8
[M-H]- 468.80842 161.8
[M+NH4]+ 487.84952 175.4
[M+K]+ 508.77886 168.7
[M+H-H2O]+ 452.81296 155.6
[M+HCOO]- 514.81390 172.1
[M+CH3COO]- 528.82955 170.9
[M+Na-2H]- 490.79037 152.8
[M]+ 469.81515 164.8
[M]- 469.81625 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe