CID 17498

Diphenylborinic acid

Structural Information

Molecular Formula
C12H11BO
SMILES
B(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C12H11BO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChIKey
VIGVRXYWWFPORY-UHFFFAOYSA-N
Compound name
diphenylborinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

4151
Patents

182.0903 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09758 137.2
[M+Na]+ 205.07952 143.7
[M-H]- 181.08302 142.5
[M+NH4]+ 200.12412 156.0
[M+K]+ 221.05346 140.2
[M+H-H2O]+ 165.08756 130.6
[M+HCOO]- 227.08850 159.9
[M+CH3COO]- 241.10415 178.8
[M+Na-2H]- 203.06497 144.5
[M]+ 182.08975 134.9
[M]- 182.09085 134.9
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