CID 9835115

1016841-45-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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

No literature data available for this compound.

Patent stripe

patents stripe