CID 87646984

2763702-73-2

Structural Information

Molecular Formula
C15H16BF7O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C15H16BF7O2/c1-11(2)12(3,4)25-16(24-11)10-7-5-9(6-8-10)13(17,14(18,19)20)15(21,22)23/h5-8H,1-4H3
InChIKey
OLRRNTSHAZOEGS-UHFFFAOYSA-N
Compound name
2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

372.11316 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12044 173.0
[M+Na]+ 395.10238 183.4
[M-H]- 371.10588 172.9
[M+NH4]+ 390.14698 188.8
[M+K]+ 411.07632 182.1
[M+H-H2O]+ 355.11042 164.2
[M+HCOO]- 417.11136 181.3
[M+CH3COO]- 431.12701 214.6
[M+Na-2H]- 393.08783 177.7
[M]+ 372.11261 166.5
[M]- 372.11371 166.5
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