CID 11846

2,6-dichloroaniline

Structural Information

Molecular Formula
C6H5Cl2N
SMILES
C1=CC(=C(C(=C1)Cl)N)Cl
InChI
InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey
JDMFXJULNGEPOI-UHFFFAOYSA-N
Compound name
2,6-dichloroaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

4338
Patents

160.9799 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.987176 127.1
[M+Na]+ 183.969118 137.9
[M-H]- 159.972624 130.2
[M+NH4]+ 179.013723 149.1
[M+K]+ 199.943058 132.8
[M+H-H2O]+ 143.977160 124.0
[M+HCOO]- 205.978101 143.3
[M+CH3COO]- 219.993751 177.4
[M+Na-2H]- 181.954566 133.4
[M]+ 160.97935142 127.9
[M]- 160.98044858 127.9
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