CID 112758309

Tris(1h,1h,9h-perfluorononyl)borate

Structural Information

Molecular Formula
C27H9BF48O3
SMILES
B(OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C27H9BF48O3/c29-4(30)10(41,42)16(53,54)22(65,66)25(71,72)19(59,60)13(47,48)7(35,36)1-77-28(78-2-8(37,38)14(49,50)20(61,62)26(73,74)23(67,68)17(55,56)11(43,44)5(31)32)79-3-9(39,40)15(51,52)21(63,64)27(75,76)24(69,70)18(57,58)12(45,46)6(33)34/h4-6H,1-3H2
InChIKey
NPGAFGTUBPUCCI-UHFFFAOYSA-N
Compound name
tris(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1303.9878 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1304.995076 297.4
[M+Na]+ 1326.977018 297.9
[M-H]- 1302.980524 309.8
[M+NH4]+ 1322.021623 307.3
[M+K]+ 1342.950958 310.7
[M+H-H2O]+ 1286.985060 289.1
[M+HCOO]- 1348.986001 302.7
[M+CH3COO]- 1363.001651 278.1
[M+Na-2H]- 1324.962466 299.6
[M]+ 1303.98725142 286.8
[M]- 1303.98834858 286.8
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.