CID 13206367

3,4,5-trichloro-2-(2,4-dichlorophenoxy)aniline

Structural Information

Molecular Formula
C12H6Cl5NO
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=C(C(=C(C=C2N)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl5NO/c13-5-1-2-9(6(14)3-5)19-12-8(18)4-7(15)10(16)11(12)17/h1-4H,18H2
InChIKey
OWHDDYMHUJXVRI-UHFFFAOYSA-N
Compound name
3,4,5-trichloro-2-(2,4-dichlorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.8892 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.89648 171.6
[M+Na]+ 377.87842 182.5
[M-H]- 353.88192 172.8
[M+NH4]+ 372.92302 185.0
[M+K]+ 393.85236 176.3
[M+H-H2O]+ 337.88646 168.2
[M+HCOO]- 399.88740 170.4
[M+CH3COO]- 413.90305 180.5
[M+Na-2H]- 375.86387 170.0
[M]+ 354.88865 173.1
[M]- 354.88975 173.1
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.