CID 62502297

(3-chlorophenyl)(2-fluorophenyl)methanamine

Structural Information

Molecular Formula

C₁₃H₁₁ClFN

SMILES

C1=CC=C(C(=C1)C(C2=CC(=CC=C2)Cl)N)F

InChI

InChI=1S/C13H11ClFN/c14-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)15/h1-8,13H,16H2

InChIKey

GOWCIVDZEUGJLB-UHFFFAOYSA-N

Compound name

(3-chlorophenyl)-(2-fluorophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.05641 Da
Monoisotopic Mass: 3.2
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]+	236.063686	149.0
[M+Na]+	258.045628	157.8
[M-H]-	234.049134	154.0
[M+NH4]+	253.090233	167.2
[M+K]+	274.019568	151.7
[M+H-H2O]+	218.053670	141.9
[M+HCOO]-	280.054611	167.5
[M+CH3COO]-	294.070261	192.8
[M+Na-2H]-	256.031076	153.2
[M]+	235.05586142	147.4
[M]-	235.05695858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.