CID 99362

5,6-dichloro-2-phenyl-1,3,2-benzodioxaborole

Structural Information

Molecular Formula
C12H7BCl2O2
SMILES
B1(OC2=CC(=C(C=C2O1)Cl)Cl)C3=CC=CC=C3
InChI
InChI=1S/C12H7BCl2O2/c14-9-6-11-12(7-10(9)15)17-13(16-11)8-4-2-1-3-5-8/h1-7H
InChIKey
BQVWFNYJTACZFE-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-phenyl-1,3,2-benzodioxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.9916 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99888 154.0
[M+Na]+ 286.98082 165.6
[M-H]- 262.98432 162.6
[M+NH4]+ 282.02542 172.4
[M+K]+ 302.95476 161.7
[M+H-H2O]+ 246.98886 149.2
[M+HCOO]- 308.98980 166.6
[M+CH3COO]- 323.00545 167.8
[M+Na-2H]- 284.96627 159.8
[M]+ 263.99105 159.4
[M]- 263.99215 159.4
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.