CID 165814117

(2-bromopyridin-4-yl)methanesulfonamide

Structural Information

Molecular Formula
C6H7BrN2O2S
SMILES
C1=CN=C(C=C1CS(=O)(=O)N)Br
InChI
InChI=1S/C6H7BrN2O2S/c7-6-3-5(1-2-9-6)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11)
InChIKey
MSROKLKKBSTOPQ-UHFFFAOYSA-N
Compound name
(2-bromo-4-pyridinyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.94116 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.948436 133.3
[M+Na]+ 272.930378 146.3
[M-H]- 248.933884 138.6
[M+NH4]+ 267.974983 153.1
[M+K]+ 288.904318 134.0
[M+H-H2O]+ 232.938420 133.1
[M+HCOO]- 294.939361 149.8
[M+CH3COO]- 308.955011 187.0
[M+Na-2H]- 270.915826 141.0
[M]+ 249.94061142 152.9
[M]- 249.94170858 152.9
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.