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]+ 179.00174 132.5
[M+Na]+ 200.98368 139.9
[M-H]- 176.98718 132.0
[M+NH4]+ 196.02828 152.6
[M+K]+ 216.95762 133.8
[M+H-H2O]+ 160.99172 127.1
[M+HCOO]- 222.99266 138.7
[M+CH3COO]- 237.00831 180.0
[M+Na-2H]- 198.96913 131.4
[M]+ 177.99391 133.9
[M]- 177.99501 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.