CID 125498708

1415960-55-2

Structural Information

Molecular Formula
C15H19BF2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C(=O)OC)(F)F
InChI
InChI=1S/C15H19BF2O4/c1-13(2)14(3,4)22-16(21-13)11-8-6-10(7-9-11)15(17,18)12(19)20-5/h6-9H,1-5H3
InChIKey
KNJUYOCPBWDNPQ-UHFFFAOYSA-N
Compound name
methyl 2,2-difluoro-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.13446 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14174 163.5
[M+Na]+ 335.12368 172.6
[M-H]- 311.12718 169.6
[M+NH4]+ 330.16828 181.8
[M+K]+ 351.09762 173.2
[M+H-H2O]+ 295.13172 158.1
[M+HCOO]- 357.13266 179.9
[M+CH3COO]- 371.14831 204.4
[M+Na-2H]- 333.10913 168.1
[M]+ 312.13391 166.2
[M]- 312.13501 166.2
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.