CID 495781

Schembl19833861

Structural Information

Molecular Formula
C19H18BNO
SMILES
B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCC3=CC=CC=N3
InChI
InChI=1S/C19H18BNO/c1-3-9-17(10-4-1)20(18-11-5-2-6-12-18)22-16-14-19-13-7-8-15-21-19/h1-13,15H,14,16H2
InChIKey
MYAPVFDSERXTAA-UHFFFAOYSA-N
Compound name
diphenyl(2-pyridin-2-ylethoxy)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

287.14813 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15541 167.4
[M+Na]+ 310.13735 172.3
[M-H]- 286.14085 174.6
[M+NH4]+ 305.18195 180.4
[M+K]+ 326.11129 167.1
[M+H-H2O]+ 270.14539 157.0
[M+HCOO]- 332.14633 188.8
[M+CH3COO]- 346.16198 177.9
[M+Na-2H]- 308.12280 173.7
[M]+ 287.14758 166.8
[M]- 287.14868 166.8
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

No patent data available for this compound.