CID 235722

2-pyridinyl 4-bromobenzenesulfonate

Structural Information

Molecular Formula
C11H8BrNO3S
SMILES
C1=CC=NC(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H8BrNO3S/c12-9-4-6-10(7-5-9)17(14,15)16-11-3-1-2-8-13-11/h1-8H
InChIKey
SSXGGFGRTFPJIU-UHFFFAOYSA-N
Compound name
pyridin-2-yl 4-bromobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.94083 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.94811 148.9
[M+Na]+ 335.93005 161.8
[M-H]- 311.93355 157.5
[M+NH4]+ 330.97465 166.6
[M+K]+ 351.90399 150.0
[M+H-H2O]+ 295.93809 148.5
[M+HCOO]- 357.93903 165.5
[M+CH3COO]- 371.95468 195.1
[M+Na-2H]- 333.91550 157.4
[M]+ 312.94028 171.0
[M]- 312.94138 171.0
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.