CID 99769938

1214349-54-8

Structural Information

Molecular Formula

C₈H₆BrF₃O

SMILES

C1=CC(=C(C=C1Br)CO)C(F)(F)F

InChI

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

InChIKey

FCEJEQQBRZHCJZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
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	146.3
[M+Na]+	276.94463	159.1
[M-H]-	252.94813	148.2
[M+NH4]+	271.98923	166.7
[M+K]+	292.91857	147.0
[M+H-H2O]+	236.95267	144.9
[M+HCOO]-	298.95361	162.8
[M+CH3COO]-	312.96926	188.1
[M+Na-2H]-	274.93008	152.4
[M]+	253.95486	160.6
[M]-	253.95596	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe