CID 137945424

2093110-21-3

Structural Information

Molecular Formula
C14H22BO3P
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)P(=O)(C)C
InChI
InChI=1S/C14H22BO3P/c1-13(2)14(3,4)18-15(17-13)11-8-7-9-12(10-11)19(5,6)16/h7-10H,1-6H3
InChIKey
FTVATKVMEAXKME-UHFFFAOYSA-N
Compound name
2-(3-dimethylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

280.13995 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14723 161.1
[M+Na]+ 303.12917 170.1
[M-H]- 279.13267 168.7
[M+NH4]+ 298.17377 181.4
[M+K]+ 319.10311 170.6
[M+H-H2O]+ 263.13721 155.0
[M+HCOO]- 325.13815 185.7
[M+CH3COO]- 339.15380 200.6
[M+Na-2H]- 301.11462 164.6
[M]+ 280.13940 165.9
[M]- 280.14050 165.9
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