CID 288685

8-quinolinyl dicyclohexylborinate

Structural Information

Molecular Formula
C21H28BNO
SMILES
B(C1CCCCC1)(C2CCCCC2)OC3=CC=CC4=C3N=CC=C4
InChI
InChI=1S/C21H28BNO/c1-3-11-18(12-4-1)22(19-13-5-2-6-14-19)24-20-15-7-9-17-10-8-16-23-21(17)20/h7-10,15-16,18-19H,1-6,11-14H2
InChIKey
IXAYSAITHJHBEC-UHFFFAOYSA-N
Compound name
dicyclohexyl(quinolin-8-yloxy)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2264 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23368 177.9
[M+Na]+ 344.21562 177.8
[M-H]- 320.21912 183.8
[M+NH4]+ 339.26022 189.9
[M+K]+ 360.18956 172.7
[M+H-H2O]+ 304.22366 166.6
[M+HCOO]- 366.22460 189.6
[M+CH3COO]- 380.24025 185.0
[M+Na-2H]- 342.20107 179.0
[M]+ 321.22585 168.3
[M]- 321.22695 168.3
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.