CID 55279919

3,3-dichloroprop-2-ene-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H3Cl3O2S
SMILES
C(C=C(Cl)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C3H3Cl3O2S/c4-3(5)1-2-9(6,7)8/h1H,2H2
InChIKey
QYQIDRLWFIMQPX-UHFFFAOYSA-N
Compound name
3,3-dichloroprop-2-ene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.89194 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.89922 132.2
[M+Na]+ 230.88116 142.0
[M-H]- 206.88466 132.4
[M+NH4]+ 225.92576 152.7
[M+K]+ 246.85510 137.1
[M+H-H2O]+ 190.88920 131.4
[M+HCOO]- 252.89014 135.3
[M+CH3COO]- 266.90579 178.5
[M+Na-2H]- 228.86661 134.8
[M]+ 207.89139 136.0
[M]- 207.89249 136.0
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.