CID 14917125

2,8-dichloro-quinoline-3-carbaldehyde

Structural Information

Molecular Formula
C10H5Cl2NO
SMILES
C1=CC2=CC(=C(N=C2C(=C1)Cl)Cl)C=O
InChI
InChI=1S/C10H5Cl2NO/c11-8-3-1-2-6-4-7(5-14)10(12)13-9(6)8/h1-5H
InChIKey
LPMXEZKNTOGEMM-UHFFFAOYSA-N
Compound name
2,8-dichloroquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

224.97482 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.982096 140.3
[M+Na]+ 247.964038 152.9
[M-H]- 223.967544 143.5
[M+NH4]+ 243.008643 160.2
[M+K]+ 263.937978 146.8
[M+H-H2O]+ 207.972080 135.3
[M+HCOO]- 269.973021 153.8
[M+CH3COO]- 283.988671 154.1
[M+Na-2H]- 245.949486 147.9
[M]+ 224.97427142 144.8
[M]- 224.97536858 144.8
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

patents stripe