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

96
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

literature stripe

Patent stripe

patents stripe