CID 10977322

2-formylphenylboronic acid pinacol ester

Structural Information

Molecular Formula
C13H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C=O
InChI
InChI=1S/C13H17BO3/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-9H,1-4H3
InChIKey
SLJMPQLPRHIAOM-UHFFFAOYSA-N
Compound name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

232.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13436 145.7
[M+Na]+ 255.11630 155.5
[M-H]- 231.11980 154.7
[M+NH4]+ 250.16090 167.4
[M+K]+ 271.09024 155.8
[M+H-H2O]+ 215.12434 141.6
[M+HCOO]- 277.12528 167.2
[M+CH3COO]- 291.14093 190.2
[M+Na-2H]- 253.10175 152.3
[M]+ 232.12653 149.6
[M]- 232.12763 149.6
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