CID 103182

2,4-xylyl 3,5-xylyl disulfide

Structural Information

Molecular Formula
C16H18S2
SMILES
CC1=CC(=C(C=C1)SSC2=CC(=CC(=C2)C)C)C
InChI
InChI=1S/C16H18S2/c1-11-5-6-16(14(4)8-11)18-17-15-9-12(2)7-13(3)10-15/h5-10H,1-4H3
InChIKey
ODOGSCCHVYNOSE-UHFFFAOYSA-N
Compound name
1-[(2,4-dimethylphenyl)disulfanyl]-3,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.085 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09228 156.7
[M+Na]+ 297.07422 166.5
[M-H]- 273.07772 163.9
[M+NH4]+ 292.11882 174.6
[M+K]+ 313.04816 159.9
[M+H-H2O]+ 257.08226 150.1
[M+HCOO]- 319.08320 169.6
[M+CH3COO]- 333.09885 200.8
[M+Na-2H]- 295.05967 156.1
[M]+ 274.08445 161.1
[M]- 274.08555 161.1
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

No patent data available for this compound.