CID 58335252

1093880-21-7

Structural Information

Molecular Formula

C₇H₅BrF₃NO

SMILES

C1=CC(=NC(=C1)Br)C(C(F)(F)F)O

InChI

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

InChIKey

VJPDICWIBLOKKQ-UHFFFAOYSA-N

Compound name

1-(6-bromopyridin-2-yl)-2,2,2-trifluoroethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 254.95065 Da
Monoisotopic Mass: 2.2
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	153.0
[M+Na]+	277.93987	153.8
[M+NH4]+	272.98447	155.1
[M+K]+	293.91381	154.6
[M-H]-	253.94337	148.3
[M+Na-2H]-	275.92532	153.8
[M]+	254.95010	150.4
[M]-	254.95120	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe