CID 69537466

2-(1,2-diphenylethenyl)-1,3,6,2-dioxazaborocane

Structural Information

Molecular Formula
C18H20BNO2
SMILES
B1(OCCNCCO1)C(=CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H20BNO2/c1-3-7-16(8-4-1)15-18(17-9-5-2-6-10-17)19-21-13-11-20-12-14-22-19/h1-10,15,20H,11-14H2
InChIKey
VMCNVUTVKBCQKB-UHFFFAOYSA-N
Compound name
2-(1,2-diphenylethenyl)-1,3,6,2-dioxazaborocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

293.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16600 156.0
[M+Na]+ 316.14794 158.8
[M-H]- 292.15144 159.1
[M+NH4]+ 311.19254 160.4
[M+K]+ 332.12188 158.5
[M+H-H2O]+ 276.15598 150.9
[M+HCOO]- 338.15692 162.6
[M+CH3COO]- 352.17257 159.7
[M+Na-2H]- 314.13339 156.6
[M]+ 293.15817 153.3
[M]- 293.15927 153.3
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

patents stripe