CID 19735222

6-bromo-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

Structural Information

Molecular Formula
C10H6BrNO3
SMILES
C1=CC2=C(C=C1Br)C(=O)C=C(N2)C(=O)O
InChI
InChI=1S/C10H6BrNO3/c11-5-1-2-7-6(3-5)9(13)4-8(12-7)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKey
NYSWHDCWDSWVAJ-UHFFFAOYSA-N
Compound name
6-bromo-4-oxo-1H-quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

266.95312 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.960396 145.0
[M+Na]+ 289.942338 157.8
[M-H]- 265.945844 149.0
[M+NH4]+ 284.986943 163.8
[M+K]+ 305.916278 145.6
[M+H-H2O]+ 249.950380 145.1
[M+HCOO]- 311.951321 162.4
[M+CH3COO]- 325.966971 188.5
[M+Na-2H]- 287.927786 152.6
[M]+ 266.95257142 162.9
[M]- 266.95366858 162.9
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