CID 4572480

8-aza-9-boratricyclo[8.4.0.0,2,7]tetradeca-1(14),2,4,6,10,12-hexaen-9-ol

Structural Information

Molecular Formula
C12H10BNO
SMILES
B1(C2=CC=CC=C2C3=CC=CC=C3N1)O
InChI
InChI=1S/C12H10BNO/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14-13/h1-8,14-15H
InChIKey
FXBGYQGNFKGWAU-UHFFFAOYSA-N
Compound name
6-hydroxy-5H-benzo[c][1,2]benzazaborinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.08554 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09282 138.3
[M+Na]+ 218.07476 147.0
[M-H]- 194.07826 139.8
[M+NH4]+ 213.11936 157.3
[M+K]+ 234.04870 141.3
[M+H-H2O]+ 178.08280 131.7
[M+HCOO]- 240.08374 155.8
[M+CH3COO]- 254.09939 150.5
[M+Na-2H]- 216.06021 147.8
[M]+ 195.08499 134.8
[M]- 195.08609 134.8
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

patents stripe