CID 67968775

620595-02-0

Structural Information

Molecular Formula
C19H29BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3OC(C(O3)(C)C)(C)C
InChI
InChI=1S/C19H29BO4/c1-16(2)17(3,4)22-15(21-16)13-9-11-14(12-10-13)20-23-18(5,6)19(7,8)24-20/h9-12,15H,1-8H3
InChIKey
DOMGDCPSUQNREF-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

332.21588 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.22316 163.6
[M+Na]+ 355.20510 173.8
[M-H]- 331.20860 176.9
[M+NH4]+ 350.24970 184.4
[M+K]+ 371.17904 176.1
[M+H-H2O]+ 315.21314 162.1
[M+HCOO]- 377.21408 180.4
[M+CH3COO]- 391.22973 210.8
[M+Na-2H]- 353.19055 168.7
[M]+ 332.21533 170.5
[M]- 332.21643 170.5
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