CID 45588257

2,5-difluoro-4-nitrobenzaldehyde

Structural Information

Molecular Formula

C₇H₃F₂NO₃

SMILES

C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C=O

InChI

InChI=1S/C7H3F2NO3/c8-5-2-7(10(12)13)6(9)1-4(5)3-11/h1-3H

InChIKey

QMQRAEOCSNLDEY-UHFFFAOYSA-N

Compound name

2,5-difluoro-4-nitrobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 187.0081 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]+	188.01538	130.6
[M+Na]+	209.99732	143.0
[M+NH4]+	205.04192	137.3
[M+K]+	225.97126	140.1
[M-H]-	186.00082	130.7
[M+Na-2H]-	207.98277	135.9
[M]+	187.00755	132.1
[M]-	187.00865	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe