CID 103169

65087-17-4

Structural Information

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

2D Structure

compound 2d structure
2
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]+ 275.092276 156.7
[M+Na]+ 297.074218 166.5
[M-H]- 273.077724 163.9
[M+NH4]+ 292.118823 174.6
[M+K]+ 313.048158 159.9
[M+H-H2O]+ 257.082260 150.1
[M+HCOO]- 319.083201 169.6
[M+CH3COO]- 333.098851 200.8
[M+Na-2H]- 295.059666 156.1
[M]+ 274.08445142 161.1
[M]- 274.08554858 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.