CID 84867

2,6-dichloro-n-phenylaniline

Structural Information

Molecular Formula
C12H9Cl2N
SMILES
C1=CC=C(C=C1)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
InChIKey
HDUUZPLYVVQTKN-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

237.0112 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.01848 147.9
[M+Na]+ 260.00042 157.7
[M-H]- 236.00392 154.0
[M+NH4]+ 255.04502 166.7
[M+K]+ 275.97436 150.9
[M+H-H2O]+ 220.00846 142.4
[M+HCOO]- 282.00940 164.2
[M+CH3COO]- 296.02505 161.0
[M+Na-2H]- 257.98587 154.6
[M]+ 237.01065 149.8
[M]- 237.01175 149.8
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.