CID 118268830

1805950-70-2

Structural Information

Molecular Formula

C₈H₆BrF₃O

SMILES

C1=CC(=C(C(=C1)Br)C(F)(F)F)CO

InChI

InChI=1S/C8H6BrF3O/c9-6-3-1-2-5(4-13)7(6)8(10,11)12/h1-3,13H,4H2

InChIKey

OTKXNJYBZMEIFT-UHFFFAOYSA-N

Compound name

[3-bromo-2-(trifluoromethyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 253.95541 Da
Monoisotopic Mass: 2.6
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]+	254.96269	155.1
[M+Na]+	276.94463	156.6
[M+NH4]+	271.98923	157.9
[M+K]+	292.91857	156.3
[M-H]-	252.94813	151.4
[M+Na-2H]-	274.93008	156.1
[M]+	253.95486	153.0
[M]-	253.95596	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe