CID 67506

Ub69382h5j

Structural Information

Molecular Formula
C6H5BO2
SMILES
B1OC2=CC=CC=C2O1
InChI
InChI=1S/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,7H
InChIKey
CENMEJUYOOMFFZ-UHFFFAOYSA-N
Compound name
1,3,2-benzodioxaborole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

120.03826 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04554 115.8
[M+Na]+ 143.02748 124.8
[M-H]- 119.03098 121.8
[M+NH4]+ 138.07208 138.5
[M+K]+ 159.00142 126.0
[M+H-H2O]+ 103.03552 111.5
[M+HCOO]- 165.03646 139.1
[M+CH3COO]- 179.05211 131.7
[M+Na-2H]- 141.01293 127.0
[M]+ 120.03771 117.2
[M]- 120.03881 117.2
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.