CID 21432711

6-bromocinnoline-3-carboxylic acid

Structural Information

Molecular Formula
C9H5BrN2O2
SMILES
C1=CC2=NN=C(C=C2C=C1Br)C(=O)O
InChI
InChI=1S/C9H5BrN2O2/c10-6-1-2-7-5(3-6)4-8(9(13)14)12-11-7/h1-4H,(H,13,14)
InChIKey
CFDSAJBDDOBOED-UHFFFAOYSA-N
Compound name
6-bromocinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

251.95345 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.960726 141.7
[M+Na]+ 274.942668 154.5
[M-H]- 250.946174 145.5
[M+NH4]+ 269.987273 160.4
[M+K]+ 290.916608 143.2
[M+H-H2O]+ 234.950710 141.2
[M+HCOO]- 296.951651 159.4
[M+CH3COO]- 310.967301 188.1
[M+Na-2H]- 272.928116 151.1
[M]+ 251.95290142 160.6
[M]- 251.95399858 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