CID 1548874

8-chloroquinoline-2-carbaldehyde

Structural Information

Molecular Formula
C10H6ClNO
SMILES
C1=CC2=C(C(=C1)Cl)N=C(C=C2)C=O
InChI
InChI=1S/C10H6ClNO/c11-9-3-1-2-7-4-5-8(6-13)12-10(7)9/h1-6H
InChIKey
RQWZBYLWUUPXJE-UHFFFAOYSA-N
Compound name
8-chloroquinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

191.0138 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02108 135.0
[M+Na]+ 214.00302 151.8
[M+NH4]+ 209.04762 145.1
[M+K]+ 229.97696 143.1
[M-H]- 190.00652 138.2
[M+Na-2H]- 211.98847 143.9
[M]+ 191.01325 138.8
[M]- 191.01435 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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