CID 17039589

7-bromo-2-chloroquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C10H5BrClNO
SMILES
C1=CC(=CC2=NC(=C(C=C21)C=O)Cl)Br
InChI
InChI=1S/C10H5BrClNO/c11-8-2-1-6-3-7(5-14)10(12)13-9(6)4-8/h1-5H
InChIKey
OUKVZDXSWJHLNI-UHFFFAOYSA-N
Compound name
7-bromo-2-chloroquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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

literature stripe

Patent stripe

patents stripe