CID 270902

6-bromocinnolin-4-ol

Structural Information

Molecular Formula

C₈H₅BrN₂O

SMILES

C1=CC2=C(C=C1Br)C(=O)C=NN2

InChI

InChI=1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(12)4-10-11-7/h1-4H,(H,11,12)

InChIKey

VWMHMZLZLNLBPB-UHFFFAOYSA-N

Compound name

6-bromo-1H-cinnolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 71
Patents: 223.95853 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.96581	136.4
[M+Na]+	246.94775	141.9
[M+NH4]+	241.99235	141.4
[M+K]+	262.92169	141.4
[M-H]-	222.95125	136.6
[M+Na-2H]-	244.93320	140.9
[M]+	223.95798	136.1
[M]-	223.95908	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe