CID 591073

4-formylphenylboronic acid

Structural Information

Molecular Formula
C7H7BO3
SMILES
B(C1=CC=C(C=C1)C=O)(O)O
InChI
InChI=1S/C7H7BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5,10-11H
InChIKey
VXWBQOJISHAKKM-UHFFFAOYSA-N
Compound name
(4-formylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

15382
Patents

150.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05611 126.6
[M+Na]+ 173.03805 134.5
[M-H]- 149.04155 128.0
[M+NH4]+ 168.08265 146.5
[M+K]+ 189.01199 132.6
[M+H-H2O]+ 133.04609 121.7
[M+HCOO]- 195.04703 148.5
[M+CH3COO]- 209.06268 169.6
[M+Na-2H]- 171.02350 132.6
[M]+ 150.04828 125.7
[M]- 150.04938 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

literature stripe

Patent stripe

patents stripe