CID 3056971

Bis(p-iodophenyl) sulfide

Structural Information

Molecular Formula
C12H8I2S
SMILES
C1=CC(=CC=C1SC2=CC=C(C=C2)I)I
InChI
InChI=1S/C12H8I2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
DUVVOUSAQUQNMU-UHFFFAOYSA-N
Compound name
1-iodo-4-(4-iodophenyl)sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

437.84363 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.85091 162.7
[M+Na]+ 460.83285 156.8
[M-H]- 436.83635 156.4
[M+NH4]+ 455.87745 170.5
[M+K]+ 476.80679 164.2
[M+H-H2O]+ 420.84089 149.9
[M+HCOO]- 482.84183 170.8
[M+CH3COO]- 496.85748 166.1
[M+Na-2H]- 458.81830 148.6
[M]+ 437.84308 158.6
[M]- 437.84418 158.6
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