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
trans-(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]+ 250.969476 139.5
[M+Na]+ 272.951418 151.2
[M-H]- 248.954924 147.1
[M+NH4]+ 267.996023 154.0
[M+K]+ 288.925358 145.5
[M+H-H2O]+ 232.959460 135.2
[M+HCOO]- 294.960401 149.3
[M+CH3COO]- 308.976051 190.2
[M+Na-2H]- 270.936866 143.4
[M]+ 249.96165142 146.7
[M]- 249.96274858 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.