CID 137943735

4-chloro-3-(chloromethyl)butane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9Cl3O2S
SMILES
C(CS(=O)(=O)Cl)C(CCl)CCl
InChI
InChI=1S/C5H9Cl3O2S/c6-3-5(4-7)1-2-11(8,9)10/h5H,1-4H2
InChIKey
CBHMAGRHUHEOCC-UHFFFAOYSA-N
Compound name
4-chloro-3-(chloromethyl)butane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.93889 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.94617 141.5
[M+Na]+ 260.92811 150.2
[M-H]- 236.93161 141.3
[M+NH4]+ 255.97271 160.9
[M+K]+ 276.90205 145.3
[M+H-H2O]+ 220.93615 140.2
[M+HCOO]- 282.93709 143.8
[M+CH3COO]- 296.95274 185.7
[M+Na-2H]- 258.91356 143.1
[M]+ 237.93834 146.7
[M]- 237.93944 146.7
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

No patent data available for this compound.