CID 96260

2,6-dibromonaphthalene-1,5-diol

Structural Information

Molecular Formula
C10H6Br2O2
SMILES
C1=CC(=C(C2=C1C(=C(C=C2)Br)O)O)Br
InChI
InChI=1S/C10H6Br2O2/c11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13/h1-4,13-14H
InChIKey
GHJUWGHWJYULLK-UHFFFAOYSA-N
Compound name
2,6-dibromonaphthalene-1,5-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

269
Patents

315.87344 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.88072 144.1
[M+Na]+ 338.86266 155.8
[M-H]- 314.86616 150.0
[M+NH4]+ 333.90726 162.8
[M+K]+ 354.83660 140.0
[M+H-H2O]+ 298.87070 152.6
[M+HCOO]- 360.87164 158.0
[M+CH3COO]- 374.88729 203.0
[M+Na-2H]- 336.84811 151.3
[M]+ 315.87289 177.6
[M]- 315.87399 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe