CID 474214

1,2-propanedithiol, 3-chloro-

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
2
Annotation Hits

0
References

2
Patents

141.96777 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.975046 120.5
[M+Na]+ 164.956988 129.1
[M-H]- 140.960494 121.5
[M+NH4]+ 160.001593 143.6
[M+K]+ 180.930928 125.8
[M+H-H2O]+ 124.965030 117.4
[M+HCOO]- 186.965971 128.2
[M+CH3COO]- 200.981621 172.2
[M+Na-2H]- 162.942436 121.3
[M]+ 141.96722142 124.2
[M]- 141.96831858 124.2
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