CID 3049247

Brn 2111206

Structural Information

Molecular Formula

C₁₄H₁₄ClN

SMILES

CC1=CC=CC=C1NC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C14H14ClN/c1-10-5-3-4-6-13(10)16-14-8-7-12(15)9-11(14)2/h3-9,16H,1-2H3

InChIKey

MMFQRYSDRBWYMJ-UHFFFAOYSA-N

Compound name

4-chloro-2-methyl-N-(2-methylphenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.08148 Da
Monoisotopic Mass: 4.8
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]+	232.088756	150.3
[M+Na]+	254.070698	159.8
[M-H]-	230.074204	157.4
[M+NH4]+	249.115303	169.4
[M+K]+	270.044638	154.0
[M+H-H2O]+	214.078740	144.1
[M+HCOO]-	276.079681	171.2
[M+CH3COO]-	290.095331	194.0
[M+Na-2H]-	252.056146	156.1
[M]+	231.08093142	152.1
[M]-	231.08202858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.