CID 138818

Methanedithiol

Structural Information

Molecular Formula
CH4S2
SMILES
C(S)S
InChI
InChI=1S/CH4S2/c2-1-3/h2-3H,1H2
InChIKey
INBDPOJZYZJUDA-UHFFFAOYSA-N
Compound name
methanedithiol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

4670
Patents

79.97544 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 80.982716 106.8
[M+Na]+ 102.96466 116.1
[M-H]- 78.968164 108.0
[M+NH4]+ 98.009263 131.6
[M+K]+ 118.93860 114.7
[M+H-H2O]+ 62.972700 102.8
[M+HCOO]- 124.97364 120.6
[M+CH3COO]- 138.98929 161.7
[M+Na-2H]- 100.95011 109.8
[M]+ 79.974891 108.9
[M]- 79.975989 108.9
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