CID 2804511

2,4-dichloro-n-[(pyridin-3-yl)methyl]aniline

Structural Information

Molecular Formula
C12H10Cl2N2
SMILES
C1=CC(=CN=C1)CNC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H10Cl2N2/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2
InChIKey
HNQDMSRGKGZQMN-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(pyridin-3-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

4
Patents

252.02211 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02939 151.8
[M+Na]+ 275.01133 161.4
[M-H]- 251.01483 156.3
[M+NH4]+ 270.05593 168.6
[M+K]+ 290.98527 154.6
[M+H-H2O]+ 235.01937 144.9
[M+HCOO]- 297.02031 166.6
[M+CH3COO]- 311.03596 164.0
[M+Na-2H]- 272.99678 158.5
[M]+ 252.02156 154.0
[M]- 252.02266 154.0
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.