CID 3415837

2-bromo-n-pyridin-2-yl-acetamide

Structural Information

Molecular Formula
C7H7BrN2O
SMILES
C1=CC=NC(=C1)NC(=O)CBr
InChI
InChI=1S/C7H7BrN2O/c8-5-7(11)10-6-3-1-2-4-9-6/h1-4H,5H2,(H,9,10,11)
InChIKey
GQQSFWQKKADDBB-UHFFFAOYSA-N
Compound name
2-bromo-N-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

213.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.981456 134.7
[M+Na]+ 236.963398 145.2
[M-H]- 212.966904 139.6
[M+NH4]+ 232.008003 155.2
[M+K]+ 252.937338 134.7
[M+H-H2O]+ 196.971440 133.8
[M+HCOO]- 258.972381 156.6
[M+CH3COO]- 272.988031 184.4
[M+Na-2H]- 234.948846 144.1
[M]+ 213.97363142 152.3
[M]- 213.97472858 152.3
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