CID 24689280

1016530-65-6

Structural Information

Molecular Formula

C₇H₇Br₂NO

SMILES

C1=CC(=O)N(C=C1Br)CCBr

InChI

InChI=1S/C7H7Br2NO/c8-3-4-10-5-6(9)1-2-7(10)11/h1-2,5H,3-4H2

InChIKey

MDFSFHJKQYPUGO-UHFFFAOYSA-N

Compound name

5-bromo-1-(2-bromoethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 278.88943 Da
Monoisotopic Mass: 1.6
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]+	279.89671	130.9
[M+Na]+	301.87865	143.1
[M-H]-	277.88215	137.1
[M+NH4]+	296.92325	150.1
[M+K]+	317.85259	127.9
[M+H-H2O]+	261.88669	139.2
[M+HCOO]-	323.88763	147.5
[M+CH3COO]-	337.90328	200.0
[M+Na-2H]-	299.86410	139.7
[M]+	278.88888	165.9
[M]-	278.88998	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe