CID 22911327

(3,5-dibromopyridin-4-yl)methanol

Structural Information

Molecular Formula

C₆H₅Br₂NO

SMILES

C1=C(C(=C(C=N1)Br)CO)Br

InChI

InChI=1S/C6H5Br2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2

InChIKey

ZHNPEZCPMQFETF-UHFFFAOYSA-N

Compound name

(3,5-dibromo-4-pyridinyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 264.87378 Da
Monoisotopic Mass: 1.3
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]+	265.881056	129.5
[M+Na]+	287.862998	141.3
[M-H]-	263.866504	134.7
[M+NH4]+	282.907603	148.5
[M+K]+	303.836938	125.9
[M+H-H2O]+	247.871040	137.9
[M+HCOO]-	309.871981	145.0
[M+CH3COO]-	323.887631	196.3
[M+Na-2H]-	285.848446	138.2
[M]+	264.87323142	163.3
[M]-	264.87432858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe