CID 3021033

85896-11-3

Structural Information

Molecular Formula

C₁₄H₁₄Cl₂N₂O

SMILES

CN(C)C1=C(C=C(C(=C1)Cl)N)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14Cl2N2O/c1-18(2)13-7-11(16)12(17)8-14(13)19-10-5-3-9(15)4-6-10/h3-8H,17H2,1-2H3

InChIKey

VVCPHTYRZMNORC-UHFFFAOYSA-N

Compound name

2-chloro-5-(4-chlorophenoxy)-4-N,4-N-dimethylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 296.0483 Da
Monoisotopic Mass: 4.1
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]+	297.055576	165.6
[M+Na]+	319.037518	175.5
[M-H]-	295.041024	173.0
[M+NH4]+	314.082123	182.6
[M+K]+	335.011458	170.0
[M+H-H2O]+	279.045560	159.5
[M+HCOO]-	341.046501	182.3
[M+CH3COO]-	355.062151	209.2
[M+Na-2H]-	317.022966	168.2
[M]+	296.04775142	170.1
[M]-	296.04884858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe