CID 693286

2-(difluoromethoxy)-5-nitrobenzaldehyde

Structural Information

Molecular Formula

C₈H₅F₂NO₄

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C=O)OC(F)F

InChI

InChI=1S/C8H5F2NO4/c9-8(10)15-7-2-1-6(11(13)14)3-5(7)4-12/h1-4,8H

InChIKey

YERTUMJMWKSDIU-UHFFFAOYSA-N

Compound name

2-(difluoromethoxy)-5-nitrobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 217.01866 Da
Monoisotopic Mass: 2.1
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]+	218.02594	137.6
[M+Na]+	240.00788	148.6
[M+NH4]+	235.05248	143.4
[M+K]+	255.98182	146.7
[M-H]-	216.01138	136.9
[M+Na-2H]-	237.99333	142.1
[M]+	217.01811	138.5
[M]-	217.01921	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe