CID 98672118

2003057-02-9

Structural Information

Molecular Formula
C9H8BrClO2S
SMILES
C1[C@H]([C@@H]1S(=O)(=O)Cl)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H8BrClO2S/c10-7-3-1-6(2-4-7)8-5-9(8)14(11,12)13/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKey
GYSFDMJYKUFIMQ-DTWKUNHWSA-N
Compound name
trans-(1R,2S)-2-(4-bromophenyl)cyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.91168 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.918956 140.0
[M+Na]+ 316.900898 155.5
[M-H]- 292.904404 150.7
[M+NH4]+ 311.945503 156.6
[M+K]+ 332.874838 142.0
[M+H-H2O]+ 276.908940 141.0
[M+HCOO]- 338.909881 153.0
[M+CH3COO]- 352.925531 195.1
[M+Na-2H]- 314.886346 146.4
[M]+ 293.91113142 164.0
[M]- 293.91222858 164.0
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.