CID 131119086

1806356-43-3

Structural Information

Molecular Formula

C₇H₄Br₂F₂O

SMILES

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

InChI

InChI=1S/C7H4Br2F2O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1,12H,2H2

InChIKey

BWCXAQRFWWGUEO-UHFFFAOYSA-N

Compound name

(3,5-dibromo-2,6-difluorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.8597 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]+	300.86698	140.6
[M+Na]+	322.84892	153.3
[M-H]-	298.85242	145.0
[M+NH4]+	317.89352	159.7
[M+K]+	338.82286	137.0
[M+H-H2O]+	282.85696	147.7
[M+HCOO]-	344.85790	154.9
[M+CH3COO]-	358.87355	202.5
[M+Na-2H]-	320.83437	146.0
[M]+	299.85915	172.6
[M]-	299.86025	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.