CID 2773423

94838-88-7

Structural Information

Molecular Formula
C8H7BO5
SMILES
B(C1=CC2=C(C=C1C=O)OCO2)(O)O
InChI
InChI=1S/C8H7BO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3,11-12H,4H2
InChIKey
AKEPUIJBVDGLMX-UHFFFAOYSA-N
Compound name
(6-formyl-1,3-benzodioxol-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

194.03865 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04593 134.5
[M+Na]+ 217.02787 143.2
[M-H]- 193.03137 138.3
[M+NH4]+ 212.07247 152.9
[M+K]+ 233.00181 143.5
[M+H-H2O]+ 177.03591 130.2
[M+HCOO]- 239.03685 153.7
[M+CH3COO]- 253.05250 176.5
[M+Na-2H]- 215.01332 141.2
[M]+ 194.03810 136.8
[M]- 194.03920 136.8
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