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

173
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

literature stripe

Patent stripe

patents stripe