CID 18373140

6-bromoquinoline-2-carbaldehyde

Structural Information

Molecular Formula
C10H6BrNO
SMILES
C1=CC2=C(C=CC(=N2)C=O)C=C1Br
InChI
InChI=1S/C10H6BrNO/c11-8-2-4-10-7(5-8)1-3-9(6-13)12-10/h1-6H
InChIKey
VQOCWJMSBFLQKK-UHFFFAOYSA-N
Compound name
6-bromoquinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

234.96329 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97057 139.0
[M+Na]+ 257.95251 152.4
[M-H]- 233.95601 145.4
[M+NH4]+ 252.99711 160.5
[M+K]+ 273.92645 141.0
[M+H-H2O]+ 217.96055 139.0
[M+HCOO]- 279.96149 159.9
[M+CH3COO]- 293.97714 188.0
[M+Na-2H]- 255.93796 149.4
[M]+ 234.96274 158.7
[M]- 234.96384 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

literature stripe

Patent stripe

patents stripe