CID 139597908

Dtxsid501026545

Structural Information

Molecular Formula
C26H9F46O4P
SMILES
C(COP(=O)(O)OCCC(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)C(C(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)(F)F)(F)F
InChI
InChI=1S/C26H9F46O4P/c27-5(28,7(31,32)9(35,36)11(39,40)13(43,44)15(47,48)16(49,50)18(53,54)20(57,58)22(61,62)24(65,66)26(70,71)72)1-3-75-77(73,74)76-4-2-6(29,30)8(33,34)10(37,38)12(41,42)14(45,46)17(51,52)19(55,56)21(59,60)23(63,64)25(67,68)69/h1-4H2,(H,73,74)
InChIKey
XUXUDURMFGXHCP-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 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1289.9504 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1290.957676 298.3
[M+Na]+ 1312.939618 297.9
[M-H]- 1288.943124 310.6
[M+NH4]+ 1307.984223 307.2
[M+K]+ 1328.913558 310.3
[M+H-H2O]+ 1272.947660 286.8
[M+HCOO]- 1334.948601 306.2
[M+CH3COO]- 1348.964251 276.8
[M+Na-2H]- 1310.925066 299.3
[M]+ 1289.94985142 289.2
[M]- 1289.95094858 289.2
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.