CID 26985039

3,6-difluoro-2-methoxybenzaldehyde

Structural Information

Molecular Formula

C₈H₆F₂O₂

SMILES

COC1=C(C=CC(=C1C=O)F)F

InChI

InChI=1S/C8H6F2O2/c1-12-8-5(4-11)6(9)2-3-7(8)10/h2-4H,1H3

InChIKey

CRIGYCXILOWIKP-UHFFFAOYSA-N

Compound name

3,6-difluoro-2-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 172.03358 Da
Monoisotopic Mass: 1.6
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]+	173.04086	134.8
[M+Na]+	195.02280	146.8
[M+NH4]+	190.06740	141.8
[M+K]+	210.99674	140.6
[M-H]-	171.02630	133.9
[M+Na-2H]-	193.00825	140.2
[M]+	172.03303	136.0
[M]-	172.03413	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe