CID 10106325

2-chloro-4-(4-chlorophenoxy)aniline

Structural Information

Molecular Formula

C₁₂H₉Cl₂NO

SMILES

C1=CC(=CC=C1OC2=CC(=C(C=C2)N)Cl)Cl

InChI

InChI=1S/C12H9Cl2NO/c13-8-1-3-9(4-2-8)16-10-5-6-12(15)11(14)7-10/h1-7H,15H2

InChIKey

CUSCEPZEWZVOBO-UHFFFAOYSA-N

Compound name

2-chloro-4-(4-chlorophenoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.00612 Da
Monoisotopic Mass: 4.4
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]+	254.013396	151.3
[M+Na]+	275.995338	162.0
[M-H]-	251.998844	157.4
[M+NH4]+	271.039943	169.6
[M+K]+	291.969278	155.5
[M+H-H2O]+	236.003380	146.0
[M+HCOO]-	298.004321	167.3
[M+CH3COO]-	312.019971	194.0
[M+Na-2H]-	273.980786	156.3
[M]+	253.00557142	154.1
[M]-	253.00666858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.