CID 11959040

878747-80-9

Structural Information

Molecular Formula

C₁₀H₁₄ClN

SMILES

CC(C)(C)C1=C(C=C(C=C1)N)Cl

InChI

InChI=1S/C10H14ClN/c1-10(2,3)8-5-4-7(12)6-9(8)11/h4-6H,12H2,1-3H3

InChIKey

CFMUKZISSXYPBP-UHFFFAOYSA-N

Compound name

4-tert-butyl-3-chloroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 183.08148 Da
Monoisotopic Mass: 3.5
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]+	184.08876	139.5
[M+Na]+	206.07070	148.9
[M-H]-	182.07420	143.3
[M+NH4]+	201.11530	160.6
[M+K]+	222.04464	144.8
[M+H-H2O]+	166.07874	135.5
[M+HCOO]-	228.07968	158.0
[M+CH3COO]-	242.09533	184.3
[M+Na-2H]-	204.05615	145.1
[M]+	183.08093	140.2
[M]-	183.08203	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe