CID 117818

Dimethylaminosulphinyl chloride

Structural Information

Molecular Formula
C2H6ClNOS
SMILES
CN(C)S(=O)Cl
InChI
InChI=1S/C2H6ClNOS/c1-4(2)6(3)5/h1-2H3
InChIKey
AFVJGYRAILXFPC-UHFFFAOYSA-N
Compound name
[chlorosulfinyl(methyl)amino]methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

126.98586 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.99314 118.6
[M+Na]+ 149.97508 127.3
[M-H]- 125.97858 121.2
[M+NH4]+ 145.01968 142.4
[M+K]+ 165.94902 126.6
[M+H-H2O]+ 109.98312 115.0
[M+HCOO]- 171.98406 134.3
[M+CH3COO]- 185.99971 173.2
[M+Na-2H]- 147.96053 122.1
[M]+ 126.98531 122.6
[M]- 126.98641 122.6
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