CID 165999146

En300-37355869

Structural Information

Molecular Formula
C15H21BF2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C(F)F)OC)OC
InChI
InChI=1S/C15H21BF2O4/c1-14(2)15(3,4)22-16(21-14)10-8-12(20-6)11(19-5)7-9(10)13(17)18/h7-8,13H,1-6H3
InChIKey
NACXRHDESQNPFK-UHFFFAOYSA-N
Compound name
2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1501 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15738 163.9
[M+Na]+ 337.13932 174.0
[M-H]- 313.14282 170.4
[M+NH4]+ 332.18392 182.6
[M+K]+ 353.11326 174.7
[M+H-H2O]+ 297.14736 158.1
[M+HCOO]- 359.14830 181.5
[M+CH3COO]- 373.16395 207.8
[M+Na-2H]- 335.12477 166.0
[M]+ 314.14955 168.6
[M]- 314.15065 168.6
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.