CID 46739666

1159489-46-9

Structural Information

Molecular Formula
C10H11BO4
SMILES
B(C1=CC=C(C=C1)C2(CC2)C(=O)O)(O)O
InChI
InChI=1S/C10H11BO4/c12-9(13)10(5-6-10)7-1-3-8(4-2-7)11(14)15/h1-4,14-15H,5-6H2,(H,12,13)
InChIKey
PUBSPRJVEBBDPX-UHFFFAOYSA-N
Compound name
1-(4-boronophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

206.07504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08232 138.9
[M+Na]+ 229.06426 147.5
[M-H]- 205.06776 143.1
[M+NH4]+ 224.10886 152.9
[M+K]+ 245.03820 144.7
[M+H-H2O]+ 189.07230 134.5
[M+HCOO]- 251.07324 157.8
[M+CH3COO]- 265.08889 181.0
[M+Na-2H]- 227.04971 143.8
[M]+ 206.07449 140.2
[M]- 206.07559 140.2
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

No patent data available for this compound.