CID 92602

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

Structural Information

Molecular Formula
C12H8Cl3NO
SMILES
C1=CC(=C(C=C1Cl)N)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl3NO/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H,16H2
InChIKey
SOOLDKUMSVNBIW-UHFFFAOYSA-N
Compound name
5-chloro-2-(2,4-dichlorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

36
Patents

286.96713 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.97441 157.6
[M+Na]+ 309.95635 168.9
[M-H]- 285.95985 162.6
[M+NH4]+ 305.00095 174.7
[M+K]+ 325.93029 161.9
[M+H-H2O]+ 269.96439 153.1
[M+HCOO]- 331.96533 168.0
[M+CH3COO]- 345.98098 169.7
[M+Na-2H]- 307.94180 160.7
[M]+ 286.96658 161.0
[M]- 286.96768 161.0
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

patents stripe