CID 690958

2-chloro-3-quinolinecarboxaldehyde

Structural Information

Molecular Formula
C10H6ClNO
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=O
InChI
InChI=1S/C10H6ClNO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-6H
InChIKey
SDKQWXCBSNMYBN-UHFFFAOYSA-N
Compound name
2-chloroquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

902
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 134.6
[M+Na]+ 214.00302 146.1
[M-H]- 190.00652 138.2
[M+NH4]+ 209.04762 155.2
[M+K]+ 229.97696 141.1
[M+H-H2O]+ 174.01106 128.8
[M+HCOO]- 236.01200 153.3
[M+CH3COO]- 250.02765 148.9
[M+Na-2H]- 211.98847 143.8
[M]+ 191.01325 137.7
[M]- 191.01435 137.7
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

patents stripe