CID 65620

Broquinaldol

Structural Information

Molecular Formula
C10H7Br2NO
SMILES
CC1=NC2=C(C=C1)C(=CC(=C2O)Br)Br
InChI
InChI=1S/C10H7Br2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
InChIKey
BNACJQWJZKPAPV-UHFFFAOYSA-N
Compound name
5,7-dibromo-2-methylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

137
Patents

314.88943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.896706 141.8
[M+Na]+ 337.878648 154.1
[M-H]- 313.882154 147.8
[M+NH4]+ 332.923253 160.3
[M+K]+ 353.852588 138.6
[M+H-H2O]+ 297.886690 150.2
[M+HCOO]- 359.887631 156.0
[M+CH3COO]- 373.903281 156.0
[M+Na-2H]- 335.864096 149.8
[M]+ 314.88888142 176.3
[M]- 314.88997858 176.3
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