CID 11171056

195730-31-5

Structural Information

Molecular Formula
C8H9BO2
SMILES
B(C1=CC2=C(CC2)C=C1)(O)O
InChI
InChI=1S/C8H9BO2/c10-9(11)8-4-3-6-1-2-7(6)5-8/h3-5,10-11H,1-2H2
InChIKey
UTCPXUQYTYNXQT-UHFFFAOYSA-N
Compound name
3-bicyclo[4.2.0]octa-1(6),2,4-trienylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

148.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07684 126.3
[M+Na]+ 171.05878 133.8
[M+NH4]+ 166.10338 131.3
[M+K]+ 187.03272 130.6
[M-H]- 147.06228 124.9
[M+Na-2H]- 169.04423 129.4
[M]+ 148.06901 125.7
[M]- 148.07011 125.7
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