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: 44
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]+	188.063686	136.2
[M+Na]+	210.045628	145.4
[M-H]-	186.049134	138.7
[M+NH4]+	205.090233	157.0
[M+K]+	226.019568	141.0
[M+H-H2O]+	170.053670	130.6
[M+HCOO]-	232.054611	156.1
[M+CH3COO]-	246.070261	185.0
[M+Na-2H]-	208.031076	142.2
[M]+	187.05586142	136.9
[M]-	187.05695858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe