CID 12423942

6-bromo-4-hydroxy-8-methylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H7BrN2O
SMILES
CC1=CC(=CC2=C1NC=C(C2=O)C#N)Br
InChI
InChI=1S/C11H7BrN2O/c1-6-2-8(12)3-9-10(6)14-5-7(4-13)11(9)15/h2-3,5H,1H3,(H,14,15)
InChIKey
OZUKMNIJUXVVKR-UHFFFAOYSA-N
Compound name
6-bromo-8-methyl-4-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.97418 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.98146 146.3
[M+Na]+ 284.96340 162.1
[M-H]- 260.96690 149.7
[M+NH4]+ 280.00800 164.3
[M+K]+ 300.93734 148.2
[M+H-H2O]+ 244.97144 139.5
[M+HCOO]- 306.97238 164.1
[M+CH3COO]- 320.98803 159.5
[M+Na-2H]- 282.94885 153.4
[M]+ 261.97363 158.2
[M]- 261.97473 158.2
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.