CID 130562785

2-fluoro-5-methyl-4-(propan-2-yl)aniline

Structural Information

Molecular Formula

C₁₀H₁₄FN

SMILES

CC1=CC(=C(C=C1C(C)C)F)N

InChI

InChI=1S/C10H14FN/c1-6(2)8-5-9(11)10(12)4-7(8)3/h4-6H,12H2,1-3H3

InChIKey

RMONBSUGHIPYRA-UHFFFAOYSA-N

Compound name

2-fluoro-5-methyl-4-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.11102 Da
Monoisotopic Mass: 2.8
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]+	168.118296	134.9
[M+Na]+	190.100238	143.7
[M-H]-	166.103744	137.5
[M+NH4]+	185.144843	155.8
[M+K]+	206.074178	141.3
[M+H-H2O]+	150.108280	128.8
[M+HCOO]-	212.109221	157.5
[M+CH3COO]-	226.124871	185.5
[M+Na-2H]-	188.085686	137.9
[M]+	167.11047142	132.8
[M]-	167.11156858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.