CID 474214

3-chloropropane-1,2-dithiol

Structural Information

Molecular Formula
C3H7ClS2
SMILES
C(C(CCl)S)S
InChI
InChI=1S/C3H7ClS2/c4-1-3(6)2-5/h3,5-6H,1-2H2
InChIKey
ZTZMPTRJIJQHRV-UHFFFAOYSA-N
Compound name
3-chloropropane-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

141.96777 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.97505 125.4
[M+Na]+ 164.95699 136.3
[M+NH4]+ 160.00159 135.7
[M+K]+ 180.93093 126.5
[M-H]- 140.96049 126.4
[M+Na-2H]- 162.94244 128.7
[M]+ 141.96722 128.5
[M]- 141.96832 128.5
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