CID 11096747

330793-45-8

Structural Information

Molecular Formula
C13H12BNO3
SMILES
B(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)(O)O
InChI
InChI=1S/C13H12BNO3/c16-13(15-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(17)18/h1-9,17-18H,(H,15,16)
InChIKey
DAUSGSRIYCUJDK-UHFFFAOYSA-N
Compound name
[4-(phenylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

241.09102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09830 153.6
[M+Na]+ 264.08024 165.5
[M+NH4]+ 259.12484 160.8
[M+K]+ 280.05418 160.1
[M-H]- 240.08374 156.8
[M+Na-2H]- 262.06569 161.4
[M]+ 241.09047 155.9
[M]- 241.09157 155.9
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