CID 67294940

2-[4-(fluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H18BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCF
InChI
InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)10-5-7-11(8-6-10)16-9-15/h5-8H,9H2,1-4H3
InChIKey
NLFVOJDWKPKRDE-UHFFFAOYSA-N
Compound name
2-[4-(fluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

252.1333 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.140576 150.4
[M+Na]+ 275.122518 160.0
[M-H]- 251.126024 157.9
[M+NH4]+ 270.167123 171.3
[M+K]+ 291.096458 160.3
[M+H-H2O]+ 235.130560 145.2
[M+HCOO]- 297.131501 170.7
[M+CH3COO]- 311.147151 193.6
[M+Na-2H]- 273.107966 156.3
[M]+ 252.13275142 153.9
[M]- 252.13384858 153.9
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