CID 2737014

4-(difluoromethoxy)nitrobenzene

Structural Information

Molecular Formula

C₇H₅F₂NO₃

SMILES

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

InChI

InChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H

InChIKey

SVGGBARCOQPYMV-UHFFFAOYSA-N

Compound name

1-(difluoromethoxy)-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 189.02374 Da
Monoisotopic Mass: 3.0
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]+	190.031016	131.6
[M+Na]+	212.012958	139.4
[M-H]-	188.016464	133.0
[M+NH4]+	207.057563	150.3
[M+K]+	227.986898	134.4
[M+H-H2O]+	172.021000	128.8
[M+HCOO]-	234.021941	155.2
[M+CH3COO]-	248.037591	176.0
[M+Na-2H]-	209.998406	138.6
[M]+	189.02319142	128.6
[M]-	189.02428858	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe