CID 61015518

3,5-difluoro-4-isopropoxyaniline

Structural Information

Molecular Formula

C₉H₁₁F₂NO

SMILES

CC(C)OC1=C(C=C(C=C1F)N)F

InChI

InChI=1S/C9H11F2NO/c1-5(2)13-9-7(10)3-6(12)4-8(9)11/h3-5H,12H2,1-2H3

InChIKey

MNLSBZZWIGRXAM-UHFFFAOYSA-N

Compound name

3,5-difluoro-4-propan-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 187.08087 Da
Monoisotopic Mass: 2.2
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]+	188.08815	139.6
[M+Na]+	210.07009	150.0
[M+NH4]+	205.11469	146.5
[M+K]+	226.04403	144.6
[M-H]-	186.07359	139.2
[M+Na-2H]-	208.05554	144.3
[M]+	187.08032	140.7
[M]-	187.08142	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe