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

33
Patents

255.98474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.992016 145.9
[M+Na]+ 278.973958 157.7
[M-H]- 254.977464 150.3
[M+NH4]+ 274.018563 165.4
[M+K]+ 294.947898 145.7
[M+H-H2O]+ 238.982000 145.3
[M+HCOO]- 300.982941 163.1
[M+CH3COO]- 314.998591 191.8
[M+Na-2H]- 276.959406 152.2
[M]+ 255.98419142 161.1
[M]- 255.98528858 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