CID 93236

2,3,5-trithiahexane

Structural Information

Molecular Formula
C3H8S3
SMILES
CSCSSC
InChI
InChI=1S/C3H8S3/c1-4-3-6-5-2/h3H2,1-2H3
InChIKey
MYIOBINSHMEDEY-UHFFFAOYSA-N
Compound name
(methyldisulfanyl)-methylsulfanylmethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

497
Patents

139.97882 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.98610 121.2
[M+Na]+ 162.96804 129.3
[M-H]- 138.97154 121.2
[M+NH4]+ 158.01264 142.9
[M+K]+ 178.94198 125.1
[M+H-H2O]+ 122.97608 116.2
[M+HCOO]- 184.97702 128.0
[M+CH3COO]- 198.99267 173.9
[M+Na-2H]- 160.95349 121.4
[M]+ 139.97827 123.0
[M]- 139.97937 123.0
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