CID 61794951

5-bromo-n-tert-butylpyridine-3-sulfonamide

Structural Information

Molecular Formula
C9H13BrN2O2S
SMILES
CC(C)(C)NS(=O)(=O)C1=CC(=CN=C1)Br
InChI
InChI=1S/C9H13BrN2O2S/c1-9(2,3)12-15(13,14)8-4-7(10)5-11-6-8/h4-6,12H,1-3H3
InChIKey
QODSUIGCUNEDQA-UHFFFAOYSA-N
Compound name
5-bromo-N-tert-butylpyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

291.9881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.995376 147.6
[M+Na]+ 314.977318 159.6
[M-H]- 290.980824 153.1
[M+NH4]+ 310.021923 166.2
[M+K]+ 330.951258 147.5
[M+H-H2O]+ 274.985360 147.3
[M+HCOO]- 336.986301 162.3
[M+CH3COO]- 351.001951 195.8
[M+Na-2H]- 312.962766 155.5
[M]+ 291.98755142 168.4
[M]- 291.98864858 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe