CID 58043943

(2,6-dibromo-4-fluorophenyl)methanol

Structural Information

Molecular Formula

C₇H₅Br₂FO

SMILES

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

InChI

InChI=1S/C7H5Br2FO/c8-6-1-4(10)2-7(9)5(6)3-11/h1-2,11H,3H2

InChIKey

FQRVRSIZRGCUQG-UHFFFAOYSA-N

Compound name

(2,6-dibromo-4-fluorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 281.8691 Da
Monoisotopic Mass: 2.5
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]+	282.87638	136.8
[M+Na]+	304.85832	148.9
[M-H]-	280.86182	142.1
[M+NH4]+	299.90292	156.4
[M+K]+	320.83226	133.0
[M+H-H2O]+	264.86636	144.6
[M+HCOO]-	326.86730	152.0
[M+CH3COO]-	340.88295	199.6
[M+Na-2H]-	302.84377	143.5
[M]+	281.86855	169.6
[M]-	281.86965	169.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe