CID 14491

1,6-hexanedithiol

Structural Information

Molecular Formula
C6H14S2
SMILES
C(CCCS)CCS
InChI
InChI=1S/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIKey
SRZXCOWFGPICGA-UHFFFAOYSA-N
Compound name
hexane-1,6-dithiol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

63
References

14119
Patents

150.0537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06098 128.2
[M+Na]+ 173.04292 135.4
[M-H]- 149.04642 128.5
[M+NH4]+ 168.08752 150.3
[M+K]+ 189.01686 132.7
[M+H-H2O]+ 133.05096 123.2
[M+HCOO]- 195.05190 140.5
[M+CH3COO]- 209.06755 176.5
[M+Na-2H]- 171.02837 128.9
[M]+ 150.05315 132.1
[M]- 150.05425 132.1
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