CID 7017450

832740-41-7

Structural Information

Molecular Formula

C₉H₁₁F₂NO₂

SMILES

CCOC1=C(C=CC(=C1)N)OC(F)F

InChI

InChI=1S/C9H11F2NO2/c1-2-13-8-5-6(12)3-4-7(8)14-9(10)11/h3-5,9H,2,12H2,1H3

InChIKey

VHQPLOXJAZUAOY-UHFFFAOYSA-N

Compound name

4-(difluoromethoxy)-3-ethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 203.07579 Da
Monoisotopic Mass: 2.7
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]+	204.08307	139.9
[M+Na]+	226.06501	148.1
[M-H]-	202.06851	140.8
[M+NH4]+	221.10961	158.7
[M+K]+	242.03895	146.4
[M+H-H2O]+	186.07305	132.1
[M+HCOO]-	248.07399	162.2
[M+CH3COO]-	262.08964	188.1
[M+Na-2H]-	224.05046	143.4
[M]+	203.07524	138.7
[M]-	203.07634	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe