CID 59643963

852204-67-2

Structural Information

Molecular Formula
C14H22BO5P
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)P(=O)(OC)OC
InChI
InChI=1S/C14H22BO5P/c1-13(2)14(3,4)20-15(19-13)11-7-9-12(10-8-11)21(16,17-5)18-6/h7-10H,1-6H3
InChIKey
CUAVYPNLRRVECY-UHFFFAOYSA-N
Compound name
2-(4-dimethoxyphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

312.1298 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13708 166.6
[M+Na]+ 335.11902 175.2
[M-H]- 311.12252 174.1
[M+NH4]+ 330.16362 185.5
[M+K]+ 351.09296 177.1
[M+H-H2O]+ 295.12706 160.4
[M+HCOO]- 357.12800 191.6
[M+CH3COO]- 371.14365 204.9
[M+Na-2H]- 333.10447 170.9
[M]+ 312.12925 174.4
[M]- 312.13035 174.4
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

patents stripe