CID 2736986

4-(difluoromethoxy)benzaldehyde

Structural Information

Molecular Formula

C₈H₆F₂O₂

SMILES

C1=CC(=CC=C1C=O)OC(F)F

InChI

InChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H

InChIKey

ZWCXOJYJJINQGU-UHFFFAOYSA-N

Compound name

4-(difluoromethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 643
Patents: 172.03358 Da
Monoisotopic Mass: 2.7
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]+	173.04086	134.8
[M+Na]+	195.02280	145.8
[M+NH4]+	190.06740	141.8
[M+K]+	210.99674	140.0
[M-H]-	171.02630	133.6
[M+Na-2H]-	193.00825	140.3
[M]+	172.03303	135.8
[M]-	172.03413	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe