CID 33626

26846-51-5

Structural Information

Molecular Formula
C10H6Br2N2O2
SMILES
C1=C(C2=C(C(=N)C=C(C2=O)Br)C(=C1Br)O)N
InChI
InChI=1S/C10H6Br2N2O2/c11-3-1-5(13)7-8(9(3)15)6(14)2-4(12)10(7)16/h1-2,13,16H,14H2
InChIKey
VSUFHHMQOAFXIU-UHFFFAOYSA-N
Compound name
8-amino-2,6-dibromo-5-hydroxy-4-iminonaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

343.8796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.88688 149.5
[M+Na]+ 366.86882 160.5
[M-H]- 342.87232 155.7
[M+NH4]+ 361.91342 166.7
[M+K]+ 382.84276 143.3
[M+H-H2O]+ 326.87686 155.6
[M+HCOO]- 388.87780 164.2
[M+CH3COO]- 402.89345 213.2
[M+Na-2H]- 364.85427 154.5
[M]+ 343.87905 180.4
[M]- 343.88015 180.4
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