CID 20030114

4-(2,2-difluoro-1-methylcyclopropyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₁F₂N

SMILES

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

InChI

InChI=1S/C10H11F2N/c1-9(6-10(9,11)12)7-2-4-8(13)5-3-7/h2-5H,6,13H2,1H3

InChIKey

LMBZXKLSBLPQIF-UHFFFAOYSA-N

Compound name

4-(2,2-difluoro-1-methylcyclopropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 183.08595 Da
Monoisotopic Mass: 2.6
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]+	184.09323	141.0
[M+Na]+	206.07517	152.9
[M+NH4]+	201.11977	151.9
[M+K]+	222.04911	144.9
[M-H]-	182.07867	149.2
[M+Na-2H]-	204.06062	152.5
[M]+	183.08540	146.2
[M]-	183.08650	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe