CID 62550424

2-(2,4-difluorophenyl)-n-methylethanamine

Structural Information

Molecular Formula

C₉H₁₁F₂N

SMILES

CNCCC1=C(C=C(C=C1)F)F

InChI

InChI=1S/C9H11F2N/c1-12-5-4-7-2-3-8(10)6-9(7)11/h2-3,6,12H,4-5H2,1H3

InChIKey

CPSGCGTYALHMRF-UHFFFAOYSA-N

Compound name

2-(2,4-difluorophenyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 171.08595 Da
Monoisotopic Mass: 2.0
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]+	172.093226	132.4
[M+Na]+	194.075168	140.9
[M-H]-	170.078674	133.8
[M+NH4]+	189.119773	153.0
[M+K]+	210.049108	138.2
[M+H-H2O]+	154.083210	125.0
[M+HCOO]-	216.084151	155.9
[M+CH3COO]-	230.099801	183.9
[M+Na-2H]-	192.060616	138.4
[M]+	171.08540142	130.0
[M]-	171.08649858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe