CID 107593673

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

Structural Information

Molecular Formula

C₁₀H₁₄FN

SMILES

CC1=CC(=C(C=C1N)C(C)C)F

InChI

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

InChIKey

STARZBGXXRZOGX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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]+	168.11830	134.9
[M+Na]+	190.10024	143.7
[M-H]-	166.10374	137.5
[M+NH4]+	185.14484	155.8
[M+K]+	206.07418	141.3
[M+H-H2O]+	150.10828	128.8
[M+HCOO]-	212.10922	157.5
[M+CH3COO]-	226.12487	185.5
[M+Na-2H]-	188.08569	137.9
[M]+	167.11047	132.8
[M]-	167.11157	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe