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]+ 1336.979576 303.9
[M+Na]+ 1358.961518 303.7
[M-H]- 1334.965024 315.9
[M+NH4]+ 1354.006123 313.0
[M+K]+ 1374.935458 315.8
[M+H-H2O]+ 1318.969560 293.0
[M+HCOO]- 1380.970501 311.7
[M+CH3COO]- 1394.986151 277.8
[M+Na-2H]- 1356.946966 304.7
[M]+ 1335.97175142 294.5
[M]- 1335.97284858 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.