CID 17039653

930570-37-9

Structural Information

Molecular Formula
C13H11ClN2
SMILES
CCCC1=CC(=C2C=C(C=CC2=N1)C#N)Cl
InChI
InChI=1S/C13H11ClN2/c1-2-3-10-7-12(14)11-6-9(8-15)4-5-13(11)16-10/h4-7H,2-3H2,1H3
InChIKey
JGKHGULLFTVYKX-UHFFFAOYSA-N
Compound name
4-chloro-2-propylquinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06108 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06836 150.0
[M+Na]+ 253.05030 162.9
[M-H]- 229.05380 152.6
[M+NH4]+ 248.09490 167.3
[M+K]+ 269.02424 155.4
[M+H-H2O]+ 213.05834 137.5
[M+HCOO]- 275.05928 164.2
[M+CH3COO]- 289.07493 161.6
[M+Na-2H]- 251.03575 156.1
[M]+ 230.06053 148.2
[M]- 230.06163 148.2
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.