CID 12761396

82420-42-6

Structural Information

Molecular Formula
C9H9BrN2O2
SMILES
C1C(C(=O)N(C2=C1C=CC(=C2)Br)O)N
InChI
InChI=1S/C9H9BrN2O2/c10-6-2-1-5-3-7(11)9(13)12(14)8(5)4-6/h1-2,4,7,14H,3,11H2
InChIKey
AAKHAIQDMUELMT-UHFFFAOYSA-N
Compound name
3-amino-7-bromo-1-hydroxy-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

255.98474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99202 145.9
[M+Na]+ 278.97396 157.7
[M-H]- 254.97746 150.3
[M+NH4]+ 274.01856 165.4
[M+K]+ 294.94790 145.7
[M+H-H2O]+ 238.98200 145.3
[M+HCOO]- 300.98294 163.1
[M+CH3COO]- 314.99859 191.8
[M+Na-2H]- 276.95941 152.2
[M]+ 255.98419 161.1
[M]- 255.98529 161.1
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