CID 154577695

2,2-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,4-dihydro-1,3-benzodioxin-4-one

Structural Information

Molecular Formula
C16H21BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)OC(OC3=O)(C)C
InChI
InChI=1S/C16H21BO5/c1-14(2)15(3,4)22-17(21-14)10-8-7-9-11-12(10)13(18)20-16(5,6)19-11/h7-9H,1-6H3
InChIKey
DOLWAQVTQPPQEK-UHFFFAOYSA-N
Compound name
2,2-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzodioxin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15548 160.9
[M+Na]+ 327.13742 171.8
[M-H]- 303.14092 172.0
[M+NH4]+ 322.18202 180.1
[M+K]+ 343.11136 174.4
[M+H-H2O]+ 287.14546 157.3
[M+HCOO]- 349.14640 176.4
[M+CH3COO]- 363.16205 205.4
[M+Na-2H]- 325.12287 168.4
[M]+ 304.14765 167.4
[M]- 304.14875 167.4
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.