CID 17943999

2-chloro-5-methoxy-n-methylaniline

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

CNC1=C(C=CC(=C1)OC)Cl

InChI

InChI=1S/C8H10ClNO/c1-10-8-5-6(11-2)3-4-7(8)9/h3-5,10H,1-2H3

InChIKey

JQLLDKAGQPZGQD-UHFFFAOYSA-N

Compound name

2-chloro-5-methoxy-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 171.04509 Da
Monoisotopic Mass: 2.5
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]+	172.052366	132.3
[M+Na]+	194.034308	141.9
[M-H]-	170.037814	136.4
[M+NH4]+	189.078913	153.8
[M+K]+	210.008248	138.7
[M+H-H2O]+	154.042350	127.7
[M+HCOO]-	216.043291	153.9
[M+CH3COO]-	230.058941	181.2
[M+Na-2H]-	192.019756	139.4
[M]+	171.04454142	135.2
[M]-	171.04563858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe