CID 254532

1-naphthaleneboronic acid

Structural Information

Molecular Formula
C10H9BO2
SMILES
B(C1=CC=CC2=CC=CC=C12)(O)O
InChI
InChI=1S/C10H9BO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12-13H
InChIKey
HUMMCEUVDBVXTQ-UHFFFAOYSA-N
Compound name
naphthalen-1-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

9900
Patents

172.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07684 132.4
[M+Na]+ 195.05878 140.3
[M-H]- 171.06228 134.6
[M+NH4]+ 190.10338 152.5
[M+K]+ 211.03272 137.0
[M+H-H2O]+ 155.06682 127.2
[M+HCOO]- 217.06776 152.8
[M+CH3COO]- 231.08341 175.1
[M+Na-2H]- 193.04423 140.3
[M]+ 172.06901 130.7
[M]- 172.07011 130.7
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