CID 71607294

(5-bromo-2-(trifluoromethyl)pyridin-4-yl)methanol

Structural Information

Molecular Formula

C₇H₅BrF₃NO

SMILES

C1=C(C(=CN=C1C(F)(F)F)Br)CO

InChI

InChI=1S/C7H5BrF3NO/c8-5-2-12-6(7(9,10)11)1-4(5)3-13/h1-2,13H,3H2

InChIKey

ZKIRNZJSGHLPOH-UHFFFAOYSA-N

Compound name

[5-bromo-2-(trifluoromethyl)-4-pyridinyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 254.95065 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]+	255.957926	144.9
[M+Na]+	277.939868	158.1
[M-H]-	253.943374	145.5
[M+NH4]+	272.984473	164.0
[M+K]+	293.913808	146.1
[M+H-H2O]+	237.947910	142.8
[M+HCOO]-	299.948851	160.5
[M+CH3COO]-	313.964501	187.7
[M+Na-2H]-	275.925316	151.7
[M]+	254.95010142	159.4
[M]-	254.95119858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe