CID 94878

2,4-dibromo-1-naphthol

Structural Information

Molecular Formula
C10H6Br2O
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)Br)Br
InChI
InChI=1S/C10H6Br2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H
InChIKey
PSGUDVJPEWTBRM-UHFFFAOYSA-N
Compound name
2,4-dibromonaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

213
Patents

299.87854 Da
Monoisotopic Mass

4.9
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

literature stripe

Patent stripe

patents stripe