CID 18543711

4-fluoro-n-(2-methylpropyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₄FN

SMILES

CC(C)CNC1=CC=C(C=C1)F

InChI

InChI=1S/C10H14FN/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3

InChIKey

UWTNIJUJUKUAEZ-UHFFFAOYSA-N

Compound name

4-fluoro-N-(2-methylpropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 167.11102 Da
Monoisotopic Mass: 3.3
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]+	168.11830	135.3
[M+Na]+	190.10024	142.2
[M-H]-	166.10374	137.7
[M+NH4]+	185.14484	155.8
[M+K]+	206.07418	140.0
[M+H-H2O]+	150.10828	128.6
[M+HCOO]-	212.10922	158.5
[M+CH3COO]-	226.12487	183.9
[M+Na-2H]-	188.08569	140.8
[M]+	167.11047	133.4
[M]-	167.11157	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe