CID 165982053

En300-37355620

Structural Information

Molecular Formula
C14H19BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2F)F)CC
InChI
InChI=1S/C14H19BF2O2/c1-6-9-7-10(16)8-11(17)12(9)15-18-13(2,3)14(4,5)19-15/h7-8H,6H2,1-5H3
InChIKey
BSLSZDVCANJEAX-UHFFFAOYSA-N
Compound name
2-(2-ethyl-4,6-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.14462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15190 152.7
[M+Na]+ 291.13384 163.8
[M-H]- 267.13734 159.4
[M+NH4]+ 286.17844 173.6
[M+K]+ 307.10778 163.0
[M+H-H2O]+ 251.14188 147.2
[M+HCOO]- 313.14282 171.3
[M+CH3COO]- 327.15847 199.7
[M+Na-2H]- 289.11929 156.2
[M]+ 268.14407 154.8
[M]- 268.14517 154.8
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.