CID 4141519

2,2-diphenyl-1-oxa-3-oxonia-2-boratanaphthalene

Structural Information

Molecular Formula
C19H15BO2
SMILES
[B-]1(OC2=CC=CC=C2C=[O+]1)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H15BO2/c1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)21-15-16-9-7-8-14-19(16)22-20/h1-15H
InChIKey
KCAFJFCATBRIMJ-UHFFFAOYSA-N
Compound name
3,3-diphenyl-2-oxa-4-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12380 165.7
[M+Na]+ 309.10574 172.2
[M-H]- 285.10924 175.8
[M+NH4]+ 304.15034 179.5
[M+K]+ 325.07968 164.1
[M+H-H2O]+ 269.11378 160.7
[M+HCOO]- 331.11472 184.9
[M+CH3COO]- 345.13037 189.9
[M+Na-2H]- 307.09119 177.0
[M]+ 286.11597 162.2
[M]- 286.11707 162.2
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