CID 154699508

Ns00117271

Structural Information

Molecular Formula

C₁₃H₁₁Cl₂N₂O

SMILES

C1=CC(=C(C=C1CC2=CC(=C(C=C2)N[O-])Cl)Cl)N

InChI

InChI=1S/C13H11Cl2N2O/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17-18)11(15)7-9/h1-4,6-7,17H,5,16H2/q-1

InChIKey

BGIRCXVPTMCPMU-UHFFFAOYSA-N

Compound name

2-chloro-4-[[3-chloro-4-(oxidoamino)phenyl]methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.02484 Da
Monoisotopic Mass: 3.8
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]+	282.032116	160.5
[M+Na]+	304.014058	169.5
[M-H]-	280.017564	164.5
[M+NH4]+	299.058663	176.4
[M+K]+	319.987998	163.1
[M+H-H2O]+	264.022100	157.1
[M+HCOO]-	326.023041	176.2
[M+CH3COO]-	340.038691	199.7
[M+Na-2H]-	301.999506	163.2
[M]+	281.02429142	160.9
[M]-	281.02538858	160.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.