CID 60146007

N-(5-bromopyridin-3-yl)methanesulfonamide

Structural Information

Molecular Formula
C6H7BrN2O2S
SMILES
CS(=O)(=O)NC1=CC(=CN=C1)Br
InChI
InChI=1S/C6H7BrN2O2S/c1-12(10,11)9-6-2-5(7)3-8-4-6/h2-4,9H,1H3
InChIKey
NGLXIPCYRBBBFC-UHFFFAOYSA-N
Compound name
N-(5-bromopyridin-3-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

249.94116 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.94844 132.5
[M+Na]+ 272.93038 145.5
[M-H]- 248.93388 138.3
[M+NH4]+ 267.97498 152.7
[M+K]+ 288.90432 133.7
[M+H-H2O]+ 232.93842 132.4
[M+HCOO]- 294.93936 149.7
[M+CH3COO]- 308.95501 187.6
[M+Na-2H]- 270.91583 141.2
[M]+ 249.94061 153.1
[M]- 249.94171 153.1
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