CID 3034945

62924-59-8

Structural Information

Molecular Formula

C₉H₁₁ClFN

SMILES

CCNCC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C9H11ClFN/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3

InChIKey

UYMQEQZDCJUWPU-UHFFFAOYSA-N

Compound name

N-[(2-chloro-6-fluorophenyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 187.05641 Da
Monoisotopic Mass: 2.4
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]+	188.06369	135.5
[M+Na]+	210.04563	148.7
[M+NH4]+	205.09023	144.6
[M+K]+	226.01957	140.7
[M-H]-	186.04913	137.7
[M+Na-2H]-	208.03108	142.9
[M]+	187.05586	138.2
[M]-	187.05696	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe