CID 53249779

952514-79-3

Structural Information

Molecular Formula
C19H15BN2O2
SMILES
B(C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C4=CC=CC=C4)(O)O
InChI
InChI=1S/C19H15BN2O2/c23-20(24)15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13,23-24H
InChIKey
PBSIVXAPTBHFFV-UHFFFAOYSA-N
Compound name
[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

314.12265 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12993 173.4
[M+Na]+ 337.11187 190.2
[M+NH4]+ 332.15647 181.6
[M+K]+ 353.08581 183.8
[M-H]- 313.11537 179.0
[M+Na-2H]- 335.09732 183.9
[M]+ 314.12210 177.5
[M]- 314.12320 177.5
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