CID 28972695

4-(cyclopentyloxy)-3-fluoroaniline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄FNO

SMILES

C1CCC(C1)OC2=C(C=C(C=C2)N)F

InChI

InChI=1S/C11H14FNO/c12-10-7-8(13)5-6-11(10)14-9-3-1-2-4-9/h5-7,9H,1-4,13H2

InChIKey

RKLWMVNLOMHZRG-UHFFFAOYSA-N

Compound name

4-cyclopentyloxy-3-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 195.10594 Da
Monoisotopic Mass: 2.6
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]+	196.11322	140.6
[M+Na]+	218.09516	147.4
[M-H]-	194.09866	145.5
[M+NH4]+	213.13976	161.3
[M+K]+	234.06910	144.4
[M+H-H2O]+	178.10320	133.3
[M+HCOO]-	240.10414	163.5
[M+CH3COO]-	254.11979	184.7
[M+Na-2H]-	216.08061	143.2
[M]+	195.10539	135.9
[M]-	195.10649	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe