CID 125475702

1402929-36-5

Structural Information

Molecular Formula
C12H5BF14O2
SMILES
B(C1=CC(=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)(O)O
InChI
InChI=1S/C12H5BF14O2/c14-7(9(16,17)18,10(19,20)21)4-1-5(3-6(2-4)13(28)29)8(15,11(22,23)24)12(25,26)27/h1-3,28-29H
InChIKey
YQAPCAVWNDLIRB-UHFFFAOYSA-N
Compound name
[3,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.0159 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.02318 173.2
[M+Na]+ 481.00512 173.2
[M+NH4]+ 476.04972 172.4
[M+K]+ 496.97906 172.7
[M-H]- 457.00862 169.7
[M+Na-2H]- 478.99057 172.2
[M]+ 458.01535 172.1
[M]- 458.01645 172.1
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.