CID 21904758

850040-16-3

Structural Information

Molecular Formula

C₁₀H₁₄FN

SMILES

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

InChI

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

InChIKey

RJGMZDLOXKYIPE-UHFFFAOYSA-N

Compound name

4-tert-butyl-3-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
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

No literature data available for this compound.

Patent stripe

patents stripe