CID 46738953

5-bromo-n-ethylpyridine-3-sulfonamide

Structural Information

Molecular Formula
C7H9BrN2O2S
SMILES
CCNS(=O)(=O)C1=CC(=CN=C1)Br
InChI
InChI=1S/C7H9BrN2O2S/c1-2-10-13(11,12)7-3-6(8)4-9-5-7/h3-5,10H,2H2,1H3
InChIKey
ILGAHUKGIGEEMU-UHFFFAOYSA-N
Compound name
5-bromo-N-ethylpyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

263.95682 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.96410 137.0
[M+Na]+ 286.94604 149.5
[M-H]- 262.94954 142.6
[M+NH4]+ 281.99064 156.5
[M+K]+ 302.91998 137.4
[M+H-H2O]+ 246.95408 136.6
[M+HCOO]- 308.95502 153.8
[M+CH3COO]- 322.97067 190.4
[M+Na-2H]- 284.93149 145.2
[M]+ 263.95627 157.8
[M]- 263.95737 157.8
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