CID 59166409

1956326-90-1

Structural Information

Molecular Formula

C₇H₇BrN₂O

SMILES

C1=CC(=NC=C1Br)C(=O)CN

InChI

InChI=1S/C7H7BrN2O/c8-5-1-2-6(10-4-5)7(11)3-9/h1-2,4H,3,9H2

InChIKey

LHQLHVNDRODMQA-UHFFFAOYSA-N

Compound name

2-amino-1-(5-bromopyridin-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 213.97418 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.98146	135.1
[M+Na]+	236.96340	146.4
[M-H]-	212.96690	139.8
[M+NH4]+	232.00800	155.5
[M+K]+	252.93734	135.4
[M+H-H2O]+	196.97144	134.3
[M+HCOO]-	258.97238	156.3
[M+CH3COO]-	272.98803	185.5
[M+Na-2H]-	234.94885	142.8
[M]+	213.97363	152.2
[M]-	213.97473	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe