CID 46311593

1214336-83-0

Structural Information

Molecular Formula

C₇H₄F₃NO₃

SMILES

C1=CC(=C(C=C1OC(F)F)F)[N+](=O)[O-]

InChI

InChI=1S/C7H4F3NO3/c8-5-3-4(14-7(9)10)1-2-6(5)11(12)13/h1-3,7H

InChIKey

IJQVALKYFMLISU-UHFFFAOYSA-N

Compound name

4-(difluoromethoxy)-2-fluoro-1-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 207.01433 Da
Monoisotopic Mass: 2.8
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]+	208.02161	134.6
[M+Na]+	230.00355	144.7
[M+NH4]+	225.04815	140.2
[M+K]+	245.97749	142.7
[M-H]-	206.00705	133.0
[M+Na-2H]-	227.98900	138.9
[M]+	207.01378	135.1
[M]-	207.01488	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe