CID 9012

Dibenzyl disulfide

Structural Information

Molecular Formula
C14H14S2
SMILES
C1=CC=C(C=C1)CSSCC2=CC=CC=C2
InChI
InChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
GVPWHKZIJBODOX-UHFFFAOYSA-N
Compound name
(benzyldisulfanyl)methylbenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

17
References

11775
Patents

246.0537 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06098 150.1
[M+Na]+ 269.04292 157.8
[M-H]- 245.04642 156.3
[M+NH4]+ 264.08752 168.1
[M+K]+ 285.01686 151.5
[M+H-H2O]+ 229.05096 143.3
[M+HCOO]- 291.05190 164.0
[M+CH3COO]- 305.06755 162.1
[M+Na-2H]- 267.02837 152.9
[M]+ 246.05315 152.2
[M]- 246.05425 152.2
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