CID 61270856

(2,5-dichlorophenyl)(oxolan-3-yl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO

SMILES

C1COCC1C(C2=C(C=CC(=C2)Cl)Cl)N

InChI

InChI=1S/C11H13Cl2NO/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11H,3-4,6,14H2

InChIKey

IEPFJYJWIRRJLA-UHFFFAOYSA-N

Compound name

(2,5-dichlorophenyl)-(oxolan-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.03741 Da
Monoisotopic Mass: 2.3
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]+	246.044686	155.4
[M+Na]+	268.026628	163.1
[M-H]-	244.030134	161.2
[M+NH4]+	263.071233	173.9
[M+K]+	284.000568	158.4
[M+H-H2O]+	228.034670	150.4
[M+HCOO]-	290.035611	167.4
[M+CH3COO]-	304.051261	191.3
[M+Na-2H]-	266.012076	156.5
[M]+	245.03686142	155.0
[M]-	245.03795858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.