CID 138040539

2029703-66-8

Structural Information

Molecular Formula
C9H8Cl2O2S
SMILES
C1[C@H]([C@@H]1S(=O)(=O)Cl)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C9H8Cl2O2S/c10-7-3-1-2-6(4-7)8-5-9(8)14(11,12)13/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKey
OSJUKSATPIMPLU-DTWKUNHWSA-N
Compound name
(1R,2S)-2-(3-chlorophenyl)cyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9622 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.96948 139.5
[M+Na]+ 272.95142 151.2
[M-H]- 248.95492 147.1
[M+NH4]+ 267.99602 154.0
[M+K]+ 288.92536 145.5
[M+H-H2O]+ 232.95946 135.2
[M+HCOO]- 294.96040 149.3
[M+CH3COO]- 308.97605 190.2
[M+Na-2H]- 270.93687 143.4
[M]+ 249.96165 146.7
[M]- 249.96275 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.