CID 83854881

2377035-35-1

Structural Information

Molecular Formula

C₁₀H₁₁F₂N

SMILES

C1C(CC1(F)F)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H11F2N/c11-10(12)5-8(6-10)7-1-3-9(13)4-2-7/h1-4,8H,5-6,13H2

InChIKey

AVNBTLDXIAPXMF-UHFFFAOYSA-N

Compound name

4-(3,3-difluorocyclobutyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.08595 Da
Monoisotopic Mass: 2.5
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]+	184.093226	137.1
[M+Na]+	206.075168	144.7
[M-H]-	182.078674	141.3
[M+NH4]+	201.119773	152.2
[M+K]+	222.049108	144.4
[M+H-H2O]+	166.083210	125.1
[M+HCOO]-	228.084151	157.9
[M+CH3COO]-	242.099801	187.1
[M+Na-2H]-	204.060616	141.9
[M]+	183.08540142	140.3
[M]-	183.08649858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe