CID 45156944

50823-88-6

Structural Information

Molecular Formula

C₈H₇ClF₂O₂

SMILES

C1=CC(=CC=C1CO)OC(F)(F)Cl

InChI

InChI=1S/C8H7ClF2O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2

InChIKey

HFUMPXYULWQMCI-UHFFFAOYSA-N

Compound name

[4-[chloro(difluoro)methoxy]phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.01027 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]+	209.017546	136.0
[M+Na]+	230.999488	145.6
[M-H]-	207.002994	136.0
[M+NH4]+	226.044093	155.3
[M+K]+	246.973428	141.6
[M+H-H2O]+	191.007530	130.2
[M+HCOO]-	253.008471	151.7
[M+CH3COO]-	267.024121	180.5
[M+Na-2H]-	228.984936	142.8
[M]+	208.00972142	136.2
[M]-	208.01081858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe