CID 2736994

125903-81-3

Structural Information

Molecular Formula

C₈H₈F₂O₂

SMILES

C1=CC(=CC(=C1)OC(F)F)CO

InChI

InChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8,11H,5H2

InChIKey

BBDUCPSYPRGPGO-UHFFFAOYSA-N

Compound name

[3-(difluoromethoxy)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 174.04924 Da
Monoisotopic Mass: 2.1
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]+	175.05652	135.5
[M+Na]+	197.03846	145.9
[M+NH4]+	192.08306	142.3
[M+K]+	213.01240	140.5
[M-H]-	173.04196	134.0
[M+Na-2H]-	195.02391	140.5
[M]+	174.04869	136.2
[M]-	174.04979	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe