CID 17039660

6-bromo-4-chloroquinoline-2-carboxaldehyde

Structural Information

Molecular Formula
C10H5BrClNO
SMILES
C1=CC2=NC(=CC(=C2C=C1Br)Cl)C=O
InChI
InChI=1S/C10H5BrClNO/c11-6-1-2-10-8(3-6)9(12)4-7(5-14)13-10/h1-5H
InChIKey
VVRRTCLWUQZFFO-UHFFFAOYSA-N
Compound name
6-bromo-4-chloroquinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.9243 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.93158 143.5
[M+Na]+ 291.91352 158.8
[M-H]- 267.91702 150.1
[M+NH4]+ 286.95812 164.9
[M+K]+ 307.88746 145.5
[M+H-H2O]+ 251.92156 144.3
[M+HCOO]- 313.92250 160.0
[M+CH3COO]- 327.93815 159.4
[M+Na-2H]- 289.89897 153.0
[M]+ 268.92375 165.5
[M]- 268.92485 165.5
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.