CID 122163511

2-(2,2-dichlorocyclopropyl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H7Cl3O2S
SMILES
C1C(C1(Cl)Cl)CCS(=O)(=O)Cl
InChI
InChI=1S/C5H7Cl3O2S/c6-5(7)3-4(5)1-2-11(8,9)10/h4H,1-3H2
InChIKey
CKLNRBHTGMOPCQ-UHFFFAOYSA-N
Compound name
2-(2,2-dichlorocyclopropyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.92323 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.93051 132.7
[M+Na]+ 258.91245 143.3
[M-H]- 234.91595 136.2
[M+NH4]+ 253.95705 149.1
[M+K]+ 274.88639 138.8
[M+H-H2O]+ 218.92049 131.2
[M+HCOO]- 280.92143 136.3
[M+CH3COO]- 294.93708 187.2
[M+Na-2H]- 256.89790 136.9
[M]+ 235.92268 139.7
[M]- 235.92378 139.7
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.