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 153.3
[M+Na]+ 368.88448 163.9
[M-H]- 344.88798 158.1
[M+NH4]+ 363.92908 169.7
[M+K]+ 384.85842 146.6
[M+H-H2O]+ 328.89252 159.0
[M+HCOO]- 390.89346 166.9
[M+CH3COO]- 404.90911 212.0
[M+Na-2H]- 366.86993 157.4
[M]+ 345.89471 183.9
[M]- 345.89581 183.9
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.