CID 55280261

1,3-dichloropropane-2-sulfonyl chloride

Structural Information

Molecular Formula
C3H5Cl3O2S
SMILES
C(C(CCl)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C3H5Cl3O2S/c4-1-3(2-5)9(6,7)8/h3H,1-2H2
InChIKey
DGLQTOLSPYYWES-UHFFFAOYSA-N
Compound name
1,3-dichloropropane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.90758 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.914856 132.7
[M+Na]+ 232.896798 142.1
[M-H]- 208.900304 132.8
[M+NH4]+ 227.941403 153.1
[M+K]+ 248.870738 137.7
[M+H-H2O]+ 192.904840 131.7
[M+HCOO]- 254.905781 135.6
[M+CH3COO]- 268.921431 180.0
[M+Na-2H]- 230.882246 135.2
[M]+ 209.90703142 137.1
[M]- 209.90812858 137.1
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

patents stripe