CID 86638490

1022154-90-0

Structural Information

Molecular Formula
C14H17BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)C(F)F
InChI
InChI=1S/C14H17BF2O3/c1-13(2)14(3,4)20-15(19-13)10-7-5-9(6-8-10)11(18)12(16)17/h5-8,12H,1-4H3
InChIKey
DXDAESHSMAWJIG-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

282.12387 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13115 157.5
[M+Na]+ 305.11309 166.4
[M-H]- 281.11659 163.6
[M+NH4]+ 300.15769 176.8
[M+K]+ 321.08703 166.5
[M+H-H2O]+ 265.12113 151.7
[M+HCOO]- 327.12207 174.5
[M+CH3COO]- 341.13772 200.4
[M+Na-2H]- 303.09854 159.9
[M]+ 282.12332 158.3
[M]- 282.12442 158.3
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