CID 58235

3-chlorobutane-1,2-dithiol

Structural Information

Molecular Formula
C4H9ClS2
SMILES
CC(C(CS)S)Cl
InChI
InChI=1S/C4H9ClS2/c1-3(5)4(7)2-6/h3-4,6-7H,2H2,1H3
InChIKey
OYLZHOVWWSXGFS-UHFFFAOYSA-N
Compound name
3-chlorobutane-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

155.98341 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.99069 130.0
[M+Na]+ 178.97263 140.4
[M+NH4]+ 174.01723 140.0
[M+K]+ 194.94657 131.1
[M-H]- 154.97613 130.7
[M+Na-2H]- 176.95808 132.7
[M]+ 155.98286 132.9
[M]- 155.98396 132.9
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

patents stripe