CID 112639870

(5-bromopyridin-2-yl)methanesulfonamide

Structural Information

Molecular Formula
C6H7BrN2O2S
SMILES
C1=CC(=NC=C1Br)CS(=O)(=O)N
InChI
InChI=1S/C6H7BrN2O2S/c7-5-1-2-6(9-3-5)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11)
InChIKey
LIFDDHBEVINYKM-UHFFFAOYSA-N
Compound name
(5-bromopyridin-2-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.94116 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.94844 133.3
[M+Na]+ 272.93038 146.3
[M-H]- 248.93388 138.6
[M+NH4]+ 267.97498 153.1
[M+K]+ 288.90432 134.0
[M+H-H2O]+ 232.93842 133.1
[M+HCOO]- 294.93936 149.8
[M+CH3COO]- 308.95501 187.0
[M+Na-2H]- 270.91583 141.0
[M]+ 249.94061 152.9
[M]- 249.94171 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

patents stripe