CID 4438527

136040-19-2

Structural Information

Molecular Formula
C24BF20
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)C4=C(C(=C(C(=C4F)F)F)F)F
InChI
InChI=1S/C24BF20/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33/q-1
InChIKey
BIUNYMXQLNNMJR-UHFFFAOYSA-N
Compound name
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

630
Patents

678.97736 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.98464 247.5
[M+Na]+ 701.96658 267.7
[M-H]- 677.97008 239.9
[M+NH4]+ 697.01118 248.9
[M+K]+ 717.94052 254.2
[M+H-H2O]+ 661.97462 225.4
[M+HCOO]- 723.97556 246.0
[M+CH3COO]- 737.99121 274.7
[M+Na-2H]- 699.95203 229.0
[M]+ 678.97681 227.2
[M]- 678.97791 227.2
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