CID 58119334

7-bromoquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C10H6BrNO
SMILES
C1=CC(=CC2=NC=C(C=C21)C=O)Br
InChI
InChI=1S/C10H6BrNO/c11-9-2-1-8-3-7(6-13)5-12-10(8)4-9/h1-6H
InChIKey
XQKNZUWXMUYLKO-UHFFFAOYSA-N
Compound name
7-bromoquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

234.96329 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe