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
3
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]+ 344.886876 149.5
[M+Na]+ 366.868818 160.5
[M-H]- 342.872324 155.7
[M+NH4]+ 361.913423 166.7
[M+K]+ 382.842758 143.3
[M+H-H2O]+ 326.876860 155.6
[M+HCOO]- 388.877801 164.2
[M+CH3COO]- 402.893451 213.2
[M+Na-2H]- 364.854266 154.5
[M]+ 343.87905142 180.4
[M]- 343.88014858 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