CID 86346259

1432571-98-6

Structural Information

Molecular Formula
C16H22BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)(C)C(F)(F)F
InChI
InChI=1S/C16H22BF3O2/c1-13(2,16(18,19)20)11-7-9-12(10-8-11)17-21-14(3,4)15(5,6)22-17/h7-10H,1-6H3
InChIKey
QUUSYEYDUDIVNW-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

314.1665 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17378 164.8
[M+Na]+ 337.15572 174.2
[M-H]- 313.15922 169.6
[M+NH4]+ 332.20032 183.4
[M+K]+ 353.12966 173.7
[M+H-H2O]+ 297.16376 158.9
[M+HCOO]- 359.16470 178.6
[M+CH3COO]- 373.18035 206.4
[M+Na-2H]- 335.14117 170.2
[M]+ 314.16595 164.5
[M]- 314.16705 164.5
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