CID 12748736

3-chloro-4-ethoxyaniline

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

CCOC1=C(C=C(C=C1)N)Cl

InChI

InChI=1S/C8H10ClNO/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2,10H2,1H3

InChIKey

KJTDPHIGJZLWSH-UHFFFAOYSA-N

Compound name

3-chloro-4-ethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 171.04509 Da
Monoisotopic Mass: 2.7
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]+	172.05237	131.8
[M+Na]+	194.03431	145.6
[M+NH4]+	189.07891	141.3
[M+K]+	210.00825	138.4
[M-H]-	170.03781	135.0
[M+Na-2H]-	192.01976	139.4
[M]+	171.04454	135.0
[M]-	171.04564	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe