CID 12115596

5498-31-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

464
Patents

221.96803 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.97531 138.0
[M+Na]+ 244.95725 150.7
[M-H]- 220.96075 144.5
[M+NH4]+ 240.00185 160.7
[M+K]+ 260.93119 139.1
[M+H-H2O]+ 204.96529 139.0
[M+HCOO]- 266.96623 158.4
[M+CH3COO]- 280.98188 153.7
[M+Na-2H]- 242.94270 147.8
[M]+ 221.96748 156.1
[M]- 221.96858 156.1
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