CID 818166

80395-32-0

Structural Information

Molecular Formula

C₁₂H₈F₂O₂

SMILES

C1=CC=C2C(=C1)C=CC(=C2C=O)OC(F)F

InChI

InChI=1S/C12H8F2O2/c13-12(14)16-11-6-5-8-3-1-2-4-9(8)10(11)7-15/h1-7,12H

InChIKey

KHYFVIYUNAEOHW-UHFFFAOYSA-N

Compound name

2-(difluoromethoxy)naphthalene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 222.04924 Da
Monoisotopic Mass: 3.6
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]+	223.05652	142.5
[M+Na]+	245.03846	152.0
[M-H]-	221.04196	144.8
[M+NH4]+	240.08306	162.0
[M+K]+	261.01240	148.6
[M+H-H2O]+	205.04650	134.6
[M+HCOO]-	267.04744	163.5
[M+CH3COO]-	281.06309	189.5
[M+Na-2H]-	243.02391	148.6
[M]+	222.04869	142.4
[M]-	222.04979	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe