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
(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]+ 294.91896 140.0
[M+Na]+ 316.90090 155.5
[M-H]- 292.90440 150.7
[M+NH4]+ 311.94550 156.6
[M+K]+ 332.87484 142.0
[M+H-H2O]+ 276.90894 141.0
[M+HCOO]- 338.90988 153.0
[M+CH3COO]- 352.92553 195.1
[M+Na-2H]- 314.88635 146.4
[M]+ 293.91113 164.0
[M]- 293.91223 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.