CID 167737598

4-(4-bromophenyl)piperidine-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H13BrClNO2S
SMILES
C1CN(CCC1C2=CC=C(C=C2)Br)S(=O)(=O)Cl
InChI
InChI=1S/C11H13BrClNO2S/c12-11-3-1-9(2-4-11)10-5-7-14(8-6-10)17(13,15)16/h1-4,10H,5-8H2
InChIKey
GJQQCZHKTUBECN-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)piperidine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.9539 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.96118 155.1
[M+Na]+ 359.94312 167.0
[M-H]- 335.94662 163.1
[M+NH4]+ 354.98772 173.0
[M+K]+ 375.91706 153.6
[M+H-H2O]+ 319.95116 155.8
[M+HCOO]- 381.95210 163.1
[M+CH3COO]- 395.96775 198.7
[M+Na-2H]- 357.92857 159.9
[M]+ 336.95335 174.2
[M]- 336.95445 174.2
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.