CID 639504

4-chloro-n-(pyridin-2-ylmethyl)aniline

Structural Information

Molecular Formula
C12H11ClN2
SMILES
C1=CC=NC(=C1)CNC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12/h1-8,15H,9H2
InChIKey
OVDDVEHYLXWBCQ-UHFFFAOYSA-N
Compound name
4-chloro-N-(pyridin-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

218.06108 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06836 146.4
[M+Na]+ 241.05030 162.5
[M+NH4]+ 236.09490 156.3
[M+K]+ 257.02424 153.1
[M-H]- 217.05380 152.0
[M+Na-2H]- 239.03575 157.7
[M]+ 218.06053 150.7
[M]- 218.06163 150.7
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.