CID 164885288

6:2/6:2/10:2 tripap

Structural Information

Molecular Formula
C28H12F47O4P
SMILES
C(COP(=O)(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C28H12F47O4P/c29-7(30,10(35,36)13(41,42)16(47,48)17(49,50)18(51,52)19(53,54)22(59,60)25(65,66)28(73,74)75)1-4-77-80(76,78-5-2-8(31,32)11(37,38)14(43,44)20(55,56)23(61,62)26(67,68)69)79-6-3-9(33,34)12(39,40)15(45,46)21(57,58)24(63,64)27(70,71)72/h1-6H2
InChIKey
QAXPDMDGVSSPTO-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1335.9723 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1336.9796 303.9
[M+Na]+ 1358.9615 303.7
[M-H]- 1334.9650 315.9
[M+NH4]+ 1354.0061 313.0
[M+K]+ 1374.9355 315.8
[M+H-H2O]+ 1318.9696 293.0
[M+HCOO]- 1380.9705 311.7
[M+CH3COO]- 1394.9862 277.8
[M+Na-2H]- 1356.9470 304.7
[M]+ 1335.9718 294.5
[M]- 1335.9728 294.5
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.