CID 10103961

2,3-difluoro-4-nitroanisole

Structural Information

Molecular Formula

C₇H₅F₂NO₃

SMILES

COC1=C(C(=C(C=C1)[N+](=O)[O-])F)F

InChI

InChI=1S/C7H5F2NO3/c1-13-5-3-2-4(10(11)12)6(8)7(5)9/h2-3H,1H3

InChIKey

KDXIYOKCZFOFOR-UHFFFAOYSA-N

Compound name

2,3-difluoro-1-methoxy-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 189.02374 Da
Monoisotopic Mass: 1.9
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]+	190.03102	131.2
[M+Na]+	212.01296	143.5
[M+NH4]+	207.05756	138.1
[M+K]+	227.98690	140.8
[M-H]-	188.01646	131.5
[M+Na-2H]-	209.99841	136.6
[M]+	189.02319	132.8
[M]-	189.02429	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe