CID 3022265

93857-56-8

Structural Information

Molecular Formula
C30H9F54O4P
SMILES
C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(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)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(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
InChI
InChI=1S/C30H9F54O4P/c31-5(32,9(37,38)13(45,46)17(53,54)21(61,62)25(69,70)23(65,66)19(57,58)15(49,50)11(41,42)7(35,27(73,74)75)28(76,77)78)1-3-87-89(85,86)88-4-2-6(33,34)10(39,40)14(47,48)18(55,56)22(63,64)26(71,72)24(67,68)20(59,60)16(51,52)12(43,44)8(36,29(79,80)81)30(82,83)84/h1-4H2,(H,85,86)
InChIKey
ICJWISPFZMNUHE-UHFFFAOYSA-N
Compound name
bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1489.9376 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1490.9449 332.5
[M+Na]+ 1512.9268 332.2
[M-H]- 1488.9303 343.3
[M+NH4]+ 1507.9714 338.6
[M+K]+ 1528.9008 340.8
[M+H-H2O]+ 1472.9349 324.6
[M+HCOO]- 1534.9358 337.4
[M+CH3COO]- 1548.9515 270.2
[M+Na-2H]- 1510.9123 332.8
[M]+ 1489.9371 319.2
[M]- 1489.9381 319.2
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.