CID 137838231

2226354-39-6

Structural Information

Molecular Formula
C11H14BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(O2)C(F)(F)F
InChI
InChI=1S/C11H14BF3O3/c1-9(2)10(3,4)18-12(17-9)8-6-5-7(16-8)11(13,14)15/h5-6H,1-4H3
InChIKey
JFIIZYKCPVHTLX-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[5-(trifluoromethyl)furan-2-yl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

262.09882 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10610 146.4
[M+Na]+ 285.08804 157.1
[M-H]- 261.09154 152.2
[M+NH4]+ 280.13264 167.3
[M+K]+ 301.06198 158.5
[M+H-H2O]+ 245.09608 142.4
[M+HCOO]- 307.09702 163.3
[M+CH3COO]- 321.11267 193.6
[M+Na-2H]- 283.07349 152.3
[M]+ 262.09827 147.6
[M]- 262.09937 147.6
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