CID 72183338

7-bromoquinoline-8-carbaldehyde

Structural Information

Molecular Formula
C10H6BrNO
SMILES
C1=CC2=C(C(=C(C=C2)Br)C=O)N=C1
InChI
InChI=1S/C10H6BrNO/c11-9-4-3-7-2-1-5-12-10(7)8(9)6-13/h1-6H
InChIKey
UQSNRYLULNTVFN-UHFFFAOYSA-N
Compound name
7-bromoquinoline-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.96329 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.970566 139.0
[M+Na]+ 257.952508 152.4
[M-H]- 233.956014 145.4
[M+NH4]+ 252.997113 160.5
[M+K]+ 273.926448 141.0
[M+H-H2O]+ 217.960550 139.0
[M+HCOO]- 279.961491 159.9
[M+CH3COO]- 293.977141 188.0
[M+Na-2H]- 255.937956 149.4
[M]+ 234.96274142 158.7
[M]- 234.96383858 158.7
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.