CID 12569017

4,5-dichloro-2-(2,4-dichlorophenoxy)aniline

Structural Information

Molecular Formula
C12H7Cl4NO
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=CC(=C(C=C2N)Cl)Cl
InChI
InChI=1S/C12H7Cl4NO/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H,17H2
InChIKey
MXRQOWDVBFCQFE-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(2,4-dichlorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.92816 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.93544 164.3
[M+Na]+ 343.91738 175.7
[M-H]- 319.92088 167.5
[M+NH4]+ 338.96198 179.7
[M+K]+ 359.89132 168.7
[M+H-H2O]+ 303.92542 160.4
[M+HCOO]- 365.92636 168.8
[M+CH3COO]- 379.94201 174.9
[M+Na-2H]- 341.90283 165.1
[M]+ 320.92761 167.2
[M]- 320.92871 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.