CID 10464690

4-tert-butyl-2-fluoroaniline

Structural Information

Molecular Formula

C₁₀H₁₄FN

SMILES

CC(C)(C)C1=CC(=C(C=C1)N)F

InChI

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

InChIKey

BKDLIDXUWLWPSD-UHFFFAOYSA-N

Compound name

4-tert-butyl-2-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 167.11102 Da
Monoisotopic Mass: 3.0
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	135.1
[M+Na]+	190.10024	143.8
[M-H]-	166.10374	137.7
[M+NH4]+	185.14484	156.0
[M+K]+	206.07418	141.3
[M+H-H2O]+	150.10828	129.4
[M+HCOO]-	212.10922	157.2
[M+CH3COO]-	226.12487	183.2
[M+Na-2H]-	188.08569	140.7
[M]+	167.11047	132.7
[M]-	167.11157	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe