CID 157009856

Hexa-1,5-dienyl trisulfide

Structural Information

Molecular Formula
C6H10S3
SMILES
C=CCC/C=C/SSS
InChI
InChI=1S/C6H10S3/c1-2-3-4-5-6-8-9-7/h2,5-7H,1,3-4H2/b6-5+
InChIKey
UHZPAMDDFODOJH-AATRIKPKSA-N
Compound name
(1E)-1-(trisulfanyl)hexa-1,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.001736 132.5
[M+Na]+ 200.983678 139.9
[M-H]- 176.987184 132.0
[M+NH4]+ 196.028283 152.6
[M+K]+ 216.957618 133.8
[M+H-H2O]+ 160.991720 127.1
[M+HCOO]- 222.992661 138.7
[M+CH3COO]- 237.008311 180.0
[M+Na-2H]- 198.969126 131.4
[M]+ 177.99391142 133.9
[M]- 177.99500858 133.9
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.