CID 131363468

1993479-30-3

Structural Information

Molecular Formula

C₉H₆F₂O₃

SMILES

COC(=O)C1=C(C=CC(=C1F)C=O)F

InChI

InChI=1S/C9H6F2O3/c1-14-9(13)7-6(10)3-2-5(4-12)8(7)11/h2-4H,1H3

InChIKey

AJLHBPPESIWFEQ-UHFFFAOYSA-N

Compound name

methyl 2,6-difluoro-3-formylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.0285 Da
Monoisotopic Mass: 1.4
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]+	201.03578	142.0
[M+Na]+	223.01772	153.1
[M+NH4]+	218.06232	147.9
[M+K]+	238.99166	147.8
[M-H]-	199.02122	140.1
[M+Na-2H]-	221.00317	146.2
[M]+	200.02795	142.7
[M]-	200.02905	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.