CID 84234

Methyl phenyl disulfide

Structural Information

Molecular Formula
C7H8S2
SMILES
CSSC1=CC=CC=C1
InChI
InChI=1S/C7H8S2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
LMSQHVXHZCNJEP-UHFFFAOYSA-N
Compound name
(methyldisulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

355
Patents

156.00674 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.01402 125.7
[M+Na]+ 178.99596 134.5
[M-H]- 154.99946 129.6
[M+NH4]+ 174.04056 147.6
[M+K]+ 194.96990 130.8
[M+H-H2O]+ 139.00400 120.5
[M+HCOO]- 201.00494 139.9
[M+CH3COO]- 215.02059 174.5
[M+Na-2H]- 176.98141 129.0
[M]+ 156.00619 127.8
[M]- 156.00729 127.8
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