CID 12759732

Chloro(chloromethanesulfinyl)methane

Structural Information

Molecular Formula
C2H4Cl2OS
SMILES
C(S(=O)CCl)Cl
InChI
InChI=1S/C2H4Cl2OS/c3-1-6(5)2-4/h1-2H2
InChIKey
PDEXWJGSZIRHMS-UHFFFAOYSA-N
Compound name
chloro(chloromethylsulfinyl)methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

145.93599 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.94327 123.5
[M+Na]+ 168.92521 135.6
[M+NH4]+ 163.96981 133.0
[M+K]+ 184.89915 127.4
[M-H]- 144.92871 123.4
[M+Na-2H]- 166.91066 127.7
[M]+ 145.93544 126.1
[M]- 145.93654 126.1
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