CID 2737811

123088-59-5

Structural Information

Molecular Formula
C7H8BNO3
SMILES
B(C1=CC=C(C=C1)C(=O)N)(O)O
InChI
InChI=1S/C7H8BNO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H2,9,10)
InChIKey
GNRHNKBJNUVWFZ-UHFFFAOYSA-N
Compound name
(4-carbamoylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1725
Patents

165.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06700 132.5
[M+Na]+ 188.04894 142.3
[M+NH4]+ 183.09354 139.2
[M+K]+ 204.02288 139.1
[M-H]- 164.05244 132.7
[M+Na-2H]- 186.03439 137.0
[M]+ 165.05917 133.5
[M]- 165.06027 133.5
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