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]+ 253.14058 150.4
[M+Na]+ 275.12252 160.0
[M-H]- 251.12602 157.9
[M+NH4]+ 270.16712 171.3
[M+K]+ 291.09646 160.3
[M+H-H2O]+ 235.13056 145.2
[M+HCOO]- 297.13150 170.7
[M+CH3COO]- 311.14715 193.6
[M+Na-2H]- 273.10797 156.3
[M]+ 252.13275 153.9
[M]- 252.13385 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