CID 11171056

Bicyclo[4.2.0]octa-1,3,5-trien-3-ylboronic acid

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

64
Patents

148.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07684 126.0
[M+Na]+ 171.05878 132.7
[M-H]- 147.06228 128.2
[M+NH4]+ 166.10338 140.8
[M+K]+ 187.03272 133.6
[M+H-H2O]+ 131.06682 116.3
[M+HCOO]- 193.06776 145.3
[M+CH3COO]- 207.08341 174.8
[M+Na-2H]- 169.04423 132.9
[M]+ 148.06901 133.4
[M]- 148.07011 133.4
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