CID 62116129

4-cyclobutoxy-3-fluoroaniline

Structural Information

Molecular Formula

C₁₀H₁₂FNO

SMILES

C1CC(C1)OC2=C(C=C(C=C2)N)F

InChI

InChI=1S/C10H12FNO/c11-9-6-7(12)4-5-10(9)13-8-2-1-3-8/h4-6,8H,1-3,12H2

InChIKey

ZMWLFXGBUMIXQI-UHFFFAOYSA-N

Compound name

4-cyclobutyloxy-3-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 181.09029 Da
Monoisotopic Mass: 2.2
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]+	182.097566	134.8
[M+Na]+	204.079508	141.2
[M-H]-	180.083014	139.8
[M+NH4]+	199.124113	148.0
[M+K]+	220.053448	141.9
[M+H-H2O]+	164.087550	122.4
[M+HCOO]-	226.088491	156.8
[M+CH3COO]-	240.104141	186.9
[M+Na-2H]-	202.064956	139.4
[M]+	181.08974142	140.2
[M]-	181.09083858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe