CID 14557887

2625-76-5

Structural Information

Molecular Formula
C3H6Cl2S
SMILES
C(CCl)SCCl
InChI
InChI=1S/C3H6Cl2S/c4-1-2-6-3-5/h1-3H2
InChIKey
HHQVSDLFPSFPST-UHFFFAOYSA-N
Compound name
1-chloro-2-(chloromethylsulfanyl)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

467
Patents

143.95673 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.96401 121.3
[M+Na]+ 166.94595 130.6
[M-H]- 142.94945 121.7
[M+NH4]+ 161.99055 144.6
[M+K]+ 182.91989 126.8
[M+H-H2O]+ 126.95399 119.2
[M+HCOO]- 188.95493 130.9
[M+CH3COO]- 202.97058 171.3
[M+Na-2H]- 164.93140 125.1
[M]+ 143.95618 125.6
[M]- 143.95728 125.6
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