CID 175046

72379-40-9

Structural Information

Molecular Formula
C10H8Br2N2O2
SMILES
C1=C(C2=C(C(=CC(=C2O)Br)N)C(=C1Br)O)N
InChI
InChI=1S/C10H8Br2N2O2/c11-3-1-5(13)7-8(9(3)15)6(14)2-4(12)10(7)16/h1-2,15-16H,13-14H2
InChIKey
HVZHDPROXKTWAQ-UHFFFAOYSA-N
Compound name
4,8-diamino-2,6-dibromonaphthalene-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.89526 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.90254 159.8
[M+Na]+ 368.88448 154.6
[M+NH4]+ 363.92908 161.2
[M+K]+ 384.85842 161.2
[M-H]- 344.88798 160.8
[M+Na-2H]- 366.86993 159.6
[M]+ 345.89471 158.1
[M]- 345.89581 158.1
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

No patent data available for this compound.