CID 2773424

(4-formyl-1-naphthalene)boronic acid

Structural Information

Molecular Formula
C11H9BO3
SMILES
B(C1=CC=C(C2=CC=CC=C12)C=O)(O)O
InChI
InChI=1S/C11H9BO3/c13-7-8-5-6-11(12(14)15)10-4-2-1-3-9(8)10/h1-7,14-15H
InChIKey
KBHGTTWVFRLPRO-UHFFFAOYSA-N
Compound name
(4-formylnaphthalen-1-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

200.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07175 138.7
[M+Na]+ 223.05369 147.2
[M-H]- 199.05719 141.1
[M+NH4]+ 218.09829 157.8
[M+K]+ 239.02763 143.7
[M+H-H2O]+ 183.06173 133.3
[M+HCOO]- 245.06267 159.1
[M+CH3COO]- 259.07832 180.6
[M+Na-2H]- 221.03914 145.4
[M]+ 200.06392 138.5
[M]- 200.06502 138.5
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