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

2
Patents

141.96777 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.97505 120.5
[M+Na]+ 164.95699 129.1
[M-H]- 140.96049 121.5
[M+NH4]+ 160.00159 143.6
[M+K]+ 180.93093 125.8
[M+H-H2O]+ 124.96503 117.4
[M+HCOO]- 186.96597 128.2
[M+CH3COO]- 200.98162 172.2
[M+Na-2H]- 162.94244 121.3
[M]+ 141.96722 124.2
[M]- 141.96832 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