CID 575609

4-bromonaphthalen-1-ol

Structural Information

Molecular Formula
C10H7BrO
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)O
InChI
InChI=1S/C10H7BrO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
InChIKey
OUNQUWORSXHSJN-UHFFFAOYSA-N
Compound name
4-bromonaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

496
Patents

221.96803 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.97531 135.8
[M+Na]+ 244.95725 141.4
[M+NH4]+ 240.00185 142.2
[M+K]+ 260.93119 140.1
[M-H]- 220.96075 137.7
[M+Na-2H]- 242.94270 140.9
[M]+ 221.96748 136.1
[M]- 221.96858 136.1
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