CID 2761070

285995-01-9

Structural Information

Molecular Formula
C11H14BrNO2S
SMILES
C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrNO2S/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChIKey
JLFNPSVUHQMQHA-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)sulfonylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

302.99286 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.00014 151.2
[M+Na]+ 325.98208 160.9
[M-H]- 301.98558 157.4
[M+NH4]+ 321.02668 168.5
[M+K]+ 341.95602 148.3
[M+H-H2O]+ 285.99012 151.3
[M+HCOO]- 347.99106 162.1
[M+CH3COO]- 362.00671 191.8
[M+Na-2H]- 323.96753 156.4
[M]+ 302.99231 166.4
[M]- 302.99341 166.4
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

patents stripe