CID 138109286

2304635-41-2

Structural Information

Molecular Formula
C14H19BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC)C(F)F
InChI
InChI=1S/C14H19BF2O3/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(16)17)7-11(8-10)18-5/h6-8,12H,1-5H3
InChIKey
UAVPBGRBTOOFJB-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethyl)-5-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.13953 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14681 157.5
[M+Na]+ 307.12875 167.3
[M-H]- 283.13225 163.8
[M+NH4]+ 302.17335 177.2
[M+K]+ 323.10269 167.5
[M+H-H2O]+ 267.13679 151.7
[M+HCOO]- 329.13773 175.3
[M+CH3COO]- 343.15338 201.5
[M+Na-2H]- 305.11420 160.5
[M]+ 284.13898 160.0
[M]- 284.14008 160.0
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

No patent data available for this compound.