CID 2736996

4-(difluoromethoxy)benzyl alcohol

Structural Information

Molecular Formula

C₈H₈F₂O₂

SMILES

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

InChI

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

InChIKey

HSIDWXYUJAUALR-UHFFFAOYSA-N

Compound name

[4-(difluoromethoxy)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 222
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	131.3
[M+Na]+	197.03846	139.4
[M-H]-	173.04196	131.2
[M+NH4]+	192.08306	150.9
[M+K]+	213.01240	137.5
[M+H-H2O]+	157.04650	124.2
[M+HCOO]-	219.04744	152.0
[M+CH3COO]-	233.06309	177.1
[M+Na-2H]-	195.02391	136.4
[M]+	174.04869	129.3
[M]-	174.04979	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe