CID 7019288

3-(2,4-dichlorophenoxy)-5-nitroaniline

Structural Information

Molecular Formula
C12H8Cl2N2O3
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=CC(=CC(=C2)[N+](=O)[O-])N
InChI
InChI=1S/C12H8Cl2N2O3/c13-7-1-2-12(11(14)3-7)19-10-5-8(15)4-9(6-10)16(17)18/h1-6H,15H2
InChIKey
OHVHXQWQOYYKMQ-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenoxy)-5-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.9912 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.99848 162.6
[M+Na]+ 320.98042 171.5
[M-H]- 296.98392 168.4
[M+NH4]+ 316.02502 177.8
[M+K]+ 336.95436 162.2
[M+H-H2O]+ 280.98846 161.7
[M+HCOO]- 342.98940 179.3
[M+CH3COO]- 357.00505 196.4
[M+Na-2H]- 318.96587 167.4
[M]+ 297.99065 164.7
[M]- 297.99175 164.7
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.