CID 69798476

1578156-19-0

Structural Information

Molecular Formula

C₇H₅BrF₂O

SMILES

C1=CC(=C(C(=C1CO)Br)F)F

InChI

InChI=1S/C7H5BrF2O/c8-6-4(3-11)1-2-5(9)7(6)10/h1-2,11H,3H2

InChIKey

AIAONJJXMOLZHJ-UHFFFAOYSA-N

Compound name

(2-bromo-3,4-difluorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 221.94917 Da
Monoisotopic Mass: 1.9
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]+	222.95645	135.7
[M+Na]+	244.93839	149.3
[M-H]-	220.94189	139.1
[M+NH4]+	239.98299	157.6
[M+K]+	260.91233	137.5
[M+H-H2O]+	204.94643	135.0
[M+HCOO]-	266.94737	155.0
[M+CH3COO]-	280.96302	184.0
[M+Na-2H]-	242.92384	142.0
[M]+	221.94862	151.8
[M]-	221.94972	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe