CID 582056

Tris(pentafluorophenyl)borane

Structural Information

Molecular Formula
C18BF15
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
InChI
InChI=1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
InChIKey
OBAJXDYVZBHCGT-UHFFFAOYSA-N
Compound name
tris(2,3,4,5,6-pentafluorophenyl)borane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

29007
Patents

511.98535 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.99263 206.3
[M+Na]+ 534.97457 225.4
[M-H]- 510.97807 201.2
[M+NH4]+ 530.01917 214.3
[M+K]+ 550.94851 214.4
[M+H-H2O]+ 494.98261 186.5
[M+HCOO]- 556.98355 212.1
[M+CH3COO]- 570.99920 250.9
[M+Na-2H]- 532.96002 192.9
[M]+ 511.98480 191.9
[M]- 511.98590 191.9
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

patents stripe