CID 83900606

8-bromocinnoline-3-carboxylic acid

Structural Information

Molecular Formula
C9H5BrN2O2
SMILES
C1=CC2=CC(=NN=C2C(=C1)Br)C(=O)O
InChI
InChI=1S/C9H5BrN2O2/c10-6-3-1-2-5-4-7(9(13)14)11-12-8(5)6/h1-4H,(H,13,14)
InChIKey
FMXFQFZQJAODOX-UHFFFAOYSA-N
Compound name
8-bromocinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.95345 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.96073 141.7
[M+Na]+ 274.94267 154.5
[M-H]- 250.94617 145.5
[M+NH4]+ 269.98727 160.4
[M+K]+ 290.91661 143.2
[M+H-H2O]+ 234.95071 141.2
[M+HCOO]- 296.95165 159.4
[M+CH3COO]- 310.96730 188.1
[M+Na-2H]- 272.92812 151.1
[M]+ 251.95290 160.6
[M]- 251.95400 160.6
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