CID 22240117

445303-68-4

Structural Information

Molecular Formula
C14H18BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)C(C)(F)F
InChI
InChI=1S/C14H18BF3O2/c1-12(2)13(3,4)20-15(19-12)9-6-7-11(16)10(8-9)14(5,17)18/h6-8H,1-5H3
InChIKey
OGICWSRSLAYNBM-UHFFFAOYSA-N
Compound name
2-[3-(1,1-difluoroethyl)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

286.1352 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.142476 156.0
[M+Na]+ 309.124418 166.7
[M-H]- 285.127924 161.3
[M+NH4]+ 304.169023 175.9
[M+K]+ 325.098358 166.0
[M+H-H2O]+ 269.132460 150.0
[M+HCOO]- 331.133401 172.1
[M+CH3COO]- 345.149051 201.7
[M+Na-2H]- 307.109866 160.7
[M]+ 286.13465142 156.0
[M]- 286.13574858 156.0
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