CID 122842

Benzyl trisulfide

Structural Information

Molecular Formula
C14H14S3
SMILES
C1=CC=C(C=C1)CSSSCC2=CC=CC=C2
InChI
InChI=1S/C14H14S3/c1-3-7-13(8-4-1)11-15-17-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
UXDMWYANCHMSJX-UHFFFAOYSA-N
Compound name
(benzyltrisulfanyl)methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

340
Patents

278.02576 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03304 150.6
[M+Na]+ 301.01498 164.2
[M+NH4]+ 296.05958 161.7
[M+K]+ 316.98892 150.0
[M-H]- 277.01848 157.1
[M+Na-2H]- 299.00043 159.5
[M]+ 278.02521 156.1
[M]- 278.02631 156.1
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