CID 22168980

2-p-terphenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C18H15BO2
SMILES
B(C1=CC=CC=C1C2=CC=C(C=C2)C3=CC=CC=C3)(O)O
InChI
InChI=1S/C18H15BO2/c20-19(21)18-9-5-4-8-17(18)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,20-21H
InChIKey
SNYOIUKSBGFPSV-UHFFFAOYSA-N
Compound name
[2-(4-phenylphenyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

274.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12380 161.9
[M+Na]+ 297.10574 168.3
[M-H]- 273.10924 169.0
[M+NH4]+ 292.15034 176.1
[M+K]+ 313.07968 162.7
[M+H-H2O]+ 257.11378 153.7
[M+HCOO]- 319.11472 182.4
[M+CH3COO]- 333.13037 173.0
[M+Na-2H]- 295.09119 166.4
[M]+ 274.11597 159.3
[M]- 274.11707 159.3
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