CID 53249779

4-(1-phenyl-1h-benzimidazol-2-yl)phenylboronic acid

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

302
Patents

314.12265 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12993 171.2
[M+Na]+ 337.11187 180.2
[M-H]- 313.11537 177.6
[M+NH4]+ 332.15647 184.1
[M+K]+ 353.08581 173.3
[M+H-H2O]+ 297.11991 161.8
[M+HCOO]- 359.12085 190.5
[M+CH3COO]- 373.13650 182.0
[M+Na-2H]- 335.09732 175.7
[M]+ 314.12210 171.4
[M]- 314.12320 171.4
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