CID 19576811

1431965-01-3

Structural Information

Molecular Formula

C₉H₁₁F₂NO

SMILES

CC1=C(C=CC(=C1)OCC(F)F)N

InChI

InChI=1S/C9H11F2NO/c1-6-4-7(2-3-8(6)12)13-5-9(10)11/h2-4,9H,5,12H2,1H3

InChIKey

KXBBHEJLCXNUJC-UHFFFAOYSA-N

Compound name

4-(2,2-difluoroethoxy)-2-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 187.08087 Da
Monoisotopic Mass: 2.1
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	139.3
[M+Na]+	210.07009	149.4
[M+NH4]+	205.11469	146.3
[M+K]+	226.04403	143.8
[M-H]-	186.07359	138.9
[M+Na-2H]-	208.05554	144.2
[M]+	187.08032	140.3
[M]-	187.08142	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe