CID 20970

1,3-dithiolane

Structural Information

Molecular Formula
C3H6S2
SMILES
C1CSCS1
InChI
InChI=1S/C3H6S2/c1-2-5-3-4-1/h1-3H2
InChIKey
IMLSAISZLJGWPP-UHFFFAOYSA-N
Compound name
1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

38127
Patents

105.99109 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.998366 117.1
[M+Na]+ 128.980308 125.1
[M-H]- 104.983814 120.7
[M+NH4]+ 124.024913 142.3
[M+K]+ 144.954248 123.6
[M+H-H2O]+ 88.988350 112.7
[M+HCOO]- 150.989291 130.5
[M+CH3COO]- 165.004941 131.3
[M+Na-2H]- 126.965756 118.4
[M]+ 105.99054142 115.8
[M]- 105.99163858 115.8
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