CID 87543724

1003859-13-9

Structural Information

Molecular Formula

C₆H₄Br₂FN

SMILES

C1=C(C=NC(=C1F)Br)CBr

InChI

InChI=1S/C6H4Br2FN/c7-2-4-1-5(9)6(8)10-3-4/h1,3H,2H2

InChIKey

IMQUTKISJIQUOF-UHFFFAOYSA-N

Compound name

2-bromo-5-(bromomethyl)-3-fluoropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 266.86945 Da
Monoisotopic Mass: 2.5
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]+	267.87673	130.4
[M+Na]+	289.85867	142.8
[M-H]-	265.86217	135.7
[M+NH4]+	284.90327	150.0
[M+K]+	305.83261	127.5
[M+H-H2O]+	249.86671	138.2
[M+HCOO]-	311.86765	146.2
[M+CH3COO]-	325.88330	198.9
[M+Na-2H]-	287.84412	139.0
[M]+	266.86890	163.7
[M]-	266.87000	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe