CID 96121

2-phenyl-1,3,2-benzodioxaborole

Structural Information

Molecular Formula
C12H9BO2
SMILES
B1(OC2=CC=CC=C2O1)C3=CC=CC=C3
InChI
InChI=1S/C12H9BO2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
InChIKey
NDSRMXNIVBRWFG-UHFFFAOYSA-N
Compound name
2-phenyl-1,3,2-benzodioxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
Patents

196.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07684 136.9
[M+Na]+ 219.05878 145.8
[M-H]- 195.06228 146.1
[M+NH4]+ 214.10338 156.4
[M+K]+ 235.03272 144.9
[M+H-H2O]+ 179.06682 131.1
[M+HCOO]- 241.06776 159.7
[M+CH3COO]- 255.08341 151.6
[M+Na-2H]- 217.04423 146.0
[M]+ 196.06901 138.3
[M]- 196.07011 138.3
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