CID 126849364

2-(4-bromophenyl)-2-fluoroethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H7BrClFO2S
SMILES
C1=CC(=CC=C1C(CS(=O)(=O)Cl)F)Br
InChI
InChI=1S/C8H7BrClFO2S/c9-7-3-1-6(2-4-7)8(11)5-14(10,12)13/h1-4,8H,5H2
InChIKey
SKXVPTSJPYWKQP-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2-fluoroethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.90228 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.90956 142.6
[M+Na]+ 322.89150 156.3
[M-H]- 298.89500 148.5
[M+NH4]+ 317.93610 163.3
[M+K]+ 338.86544 142.8
[M+H-H2O]+ 282.89954 143.6
[M+HCOO]- 344.90048 153.2
[M+CH3COO]- 358.91613 193.1
[M+Na-2H]- 320.87695 148.0
[M]+ 299.90173 164.3
[M]- 299.90283 164.3
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.