CID 565560

Bis(chloromethyl) sulfide

Structural Information

Molecular Formula
C2H4Cl2S
SMILES
C(SCCl)Cl
InChI
InChI=1S/C2H4Cl2S/c3-1-5-2-4/h1-2H2
InChIKey
KRIFIIWBVJKVST-UHFFFAOYSA-N
Compound name
chloro(chloromethylsulfanyl)methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

869
Patents

129.94107 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.948346 116.8
[M+Na]+ 152.930288 126.5
[M-H]- 128.933794 117.4
[M+NH4]+ 147.974893 140.7
[M+K]+ 168.904228 123.0
[M+H-H2O]+ 112.938330 115.0
[M+HCOO]- 174.939271 126.8
[M+CH3COO]- 188.954921 168.3
[M+Na-2H]- 150.915736 121.2
[M]+ 129.94052142 120.7
[M]- 129.94161858 120.7
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