CID 43681569

1153004-32-0

Structural Information

Molecular Formula
C13H10ClN3
SMILES
C1=CC=NC(=C1)CNC2=C(C=CC(=C2)Cl)C#N
InChI
InChI=1S/C13H10ClN3/c14-11-5-4-10(8-15)13(7-11)17-9-12-3-1-2-6-16-12/h1-7,17H,9H2
InChIKey
BYZRSCUTFWBZQU-UHFFFAOYSA-N
Compound name
4-chloro-2-(pyridin-2-ylmethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05632 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06360 155.5
[M+Na]+ 266.04554 166.4
[M-H]- 242.04904 159.2
[M+NH4]+ 261.09014 170.2
[M+K]+ 282.01948 159.1
[M+H-H2O]+ 226.05358 141.4
[M+HCOO]- 288.05452 171.6
[M+CH3COO]- 302.07017 166.1
[M+Na-2H]- 264.03099 161.5
[M]+ 243.05577 151.3
[M]- 243.05687 151.3
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.