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
2
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]+ 346.902536 153.3
[M+Na]+ 368.884478 163.9
[M-H]- 344.887984 158.1
[M+NH4]+ 363.929083 169.7
[M+K]+ 384.858418 146.6
[M+H-H2O]+ 328.892520 159.0
[M+HCOO]- 390.893461 166.9
[M+CH3COO]- 404.909111 212.0
[M+Na-2H]- 366.869926 157.4
[M]+ 345.89471142 183.9
[M]- 345.89580858 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.