CID 54593007

2-(5-chloroquinolin-8-yl)acetonitrile

Structural Information

Molecular Formula
C11H7ClN2
SMILES
C1=CC2=C(C=CC(=C2N=C1)CC#N)Cl
InChI
InChI=1S/C11H7ClN2/c12-10-4-3-8(5-6-13)11-9(10)2-1-7-14-11/h1-4,7H,5H2
InChIKey
PTDNAOURFVQYHA-UHFFFAOYSA-N
Compound name
2-(5-chloroquinolin-8-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.02977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03705 142.0
[M+Na]+ 225.01899 154.9
[M-H]- 201.02249 144.4
[M+NH4]+ 220.06359 159.9
[M+K]+ 240.99293 147.6
[M+H-H2O]+ 185.02703 129.5
[M+HCOO]- 247.02797 156.7
[M+CH3COO]- 261.04362 154.0
[M+Na-2H]- 223.00444 149.6
[M]+ 202.02922 139.2
[M]- 202.03032 139.2
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.