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)pyridin-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
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]+	255.95793	154.5
[M+Na]+	277.93987	155.9
[M+NH4]+	272.98447	156.7
[M+K]+	293.91381	156.0
[M-H]-	253.94337	150.1
[M+Na-2H]-	275.92532	155.3
[M]+	254.95010	152.2
[M]-	254.95120	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe