CID 138401410

6867-36-3

Structural Information

Molecular Formula
C22H10BF15O
SMILES
[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)[O+](CC)CC
InChI
InChI=1S/C22H10BF15O/c1-3-39(4-2)23(5-8(24)14(30)20(36)15(31)9(5)25,6-10(26)16(32)21(37)17(33)11(6)27)7-12(28)18(34)22(38)19(35)13(7)29/h3-4H2,1-2H3
InChIKey
VLTDIZAEUVUPMF-UHFFFAOYSA-N
Compound name
diethyloxonio-tris(2,3,4,5,6-pentafluorophenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

586.05853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.06581 224.7
[M+Na]+ 609.04775 240.9
[M-H]- 585.05125 217.7
[M+NH4]+ 604.09235 228.9
[M+K]+ 625.02169 225.5
[M+H-H2O]+ 569.05579 209.0
[M+HCOO]- 631.05673 227.0
[M+CH3COO]- 645.07238 254.6
[M+Na-2H]- 607.03320 212.5
[M]+ 586.05798 208.7
[M]- 586.05908 208.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.