CID 23005424

4-bromo-1-naphthaleneboronic acid

Structural Information

Molecular Formula
C10H8BBrO2
SMILES
B(C1=CC=C(C2=CC=CC=C12)Br)(O)O
InChI
InChI=1S/C10H8BBrO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,13-14H
InChIKey
DKKOMUVRCPKTFX-UHFFFAOYSA-N
Compound name
(4-bromonaphthalen-1-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

249.98007 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.98735 145.2
[M+Na]+ 272.96929 156.5
[M-H]- 248.97279 150.1
[M+NH4]+ 268.01389 165.8
[M+K]+ 288.94323 144.8
[M+H-H2O]+ 232.97733 145.8
[M+HCOO]- 294.97827 163.0
[M+CH3COO]- 308.99392 186.5
[M+Na-2H]- 270.95474 152.8
[M]+ 249.97952 162.4
[M]- 249.98062 162.4
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