CID 87012

Hexathiepane

Structural Information

Molecular Formula
CH2S6
SMILES
C1SSSSSS1
InChI
InChI=1S/CH2S6/c1-2-4-6-7-5-3-1/h1H2
InChIKey
JMYWPEQXUQGQNF-UHFFFAOYSA-N
Compound name
hexathiepane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

30
Patents

205.84808 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.85536 174.6
[M+Na]+ 228.83730 175.3
[M-H]- 204.84080 171.3
[M+NH4]+ 223.88190 185.9
[M+K]+ 244.81124 168.4
[M+H-H2O]+ 188.84534 167.1
[M+HCOO]- 250.84628 161.0
[M+CH3COO]- 264.86193 176.8
[M+Na-2H]- 226.82275 171.0
[M]+ 205.84753 156.4
[M]- 205.84863 156.4
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