CID 45945

2-naphthol, dibromo-

Structural Information

Molecular Formula
C10H6Br2O
SMILES
C1=CC2=C(C(=C1)Br)C(=C(C=C2)O)Br
InChI
InChI=1S/C10H6Br2O/c11-7-3-1-2-6-4-5-8(13)10(12)9(6)7/h1-5,13H
InChIKey
WWIYJJNZQXPEOK-UHFFFAOYSA-N
Compound name
1,8-dibromonaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.87854 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.88582 141.3
[M+Na]+ 322.86776 153.0
[M-H]- 298.87126 148.2
[M+NH4]+ 317.91236 161.0
[M+K]+ 338.84170 137.6
[M+H-H2O]+ 282.87580 150.1
[M+HCOO]- 344.87674 156.4
[M+CH3COO]- 358.89239 155.7
[M+Na-2H]- 320.85321 149.6
[M]+ 299.87799 175.0
[M]- 299.87909 175.0
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