CID 4770949

5-chloro-2-(difluoromethoxy)benzaldehyde

Structural Information

Molecular Formula

C₈H₅ClF₂O₂

SMILES

C1=CC(=C(C=C1Cl)C=O)OC(F)F

InChI

InChI=1S/C8H5ClF2O2/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-4,8H

InChIKey

FRNLODWJIKMPDY-UHFFFAOYSA-N

Compound name

5-chloro-2-(difluoromethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 205.99461 Da
Monoisotopic Mass: 2.9
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]+	207.00189	136.9
[M+Na]+	228.98383	148.9
[M+NH4]+	224.02843	144.1
[M+K]+	244.95777	142.8
[M-H]-	204.98733	135.7
[M+Na-2H]-	226.96928	142.5
[M]+	205.99406	138.3
[M]-	205.99516	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe