CID 84168

Schembl12544298

Structural Information

Molecular Formula
C7H7BO4
SMILES
B(C1=CC=C(C=C1)OC=O)(O)O
InChI
InChI=1S/C7H7BO4/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-5,10-11H
InChIKey
JCGNPQHAXBIDLH-UHFFFAOYSA-N
Compound name
(4-formyloxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

166.04373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05101 131.0
[M+Na]+ 189.03295 142.4
[M+NH4]+ 184.07755 138.1
[M+K]+ 205.00689 138.2
[M-H]- 165.03645 131.0
[M+Na-2H]- 187.01840 136.4
[M]+ 166.04318 132.3
[M]- 166.04428 132.3
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

patents stripe