CID 64038448

Dtxsid901259180

Structural Information

Molecular Formula

C₁₀H₁₁F₂N

SMILES

C1CC1C(C2=C(C=CC=C2F)F)N

InChI

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

InChIKey

KTEIQUVUYHGQQT-UHFFFAOYSA-N

Compound name

cyclopropyl-(2,6-difluorophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 183.08595 Da
Monoisotopic Mass: 1.8
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	129.5
[M+Na]+	206.075168	139.2
[M-H]-	182.078674	134.5
[M+NH4]+	201.119773	144.4
[M+K]+	222.049108	135.3
[M+H-H2O]+	166.083210	121.5
[M+HCOO]-	228.084151	151.8
[M+CH3COO]-	242.099801	188.6
[M+Na-2H]-	204.060616	133.9
[M]+	183.08540142	127.3
[M]-	183.08649858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe