CID 47447

2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)aniline

Structural Information

Molecular Formula
C12H5Cl6NO
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)N
InChI
InChI=1S/C12H5Cl6NO/c13-4-1-2-6(5(14)3-4)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,19H2
InChIKey
DNPLVEPZCOFBOK-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.85022 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.85750 180.0
[M+Na]+ 411.83944 189.8
[M-H]- 387.84294 178.7
[M+NH4]+ 406.88404 191.0
[M+K]+ 427.81338 184.8
[M+H-H2O]+ 371.84748 176.8
[M+HCOO]- 433.84842 173.2
[M+CH3COO]- 447.86407 186.6
[M+Na-2H]- 409.82489 175.7
[M]+ 388.84967 179.1
[M]- 388.85077 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.