CID 17953814

4-(2-fluorophenyl)butan-2-amine

Structural Information

Molecular Formula

C₁₀H₁₄FN

SMILES

CC(CCC1=CC=CC=C1F)N

InChI

InChI=1S/C10H14FN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,6-7,12H2,1H3

InChIKey

PCVGTQIIFTVRGT-UHFFFAOYSA-N

Compound name

4-(2-fluorophenyl)butan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 167.11102 Da
Monoisotopic Mass: 2.1
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]+	168.11830	136.4
[M+Na]+	190.10024	147.7
[M+NH4]+	185.14484	144.9
[M+K]+	206.07418	141.0
[M-H]-	166.10374	138.2
[M+Na-2H]-	188.08569	142.8
[M]+	167.11047	138.4
[M]-	167.11157	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe