CID 16206073

94231-59-1

Structural Information

Molecular Formula
C19H6F35O4P
SMILES
C(COP(=O)(O)O)C(C(C(C(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)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H6F35O4P/c20-3(21,1-2-58-59(55,56)57)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)16(45,46)14(41,42)12(37,38)10(33,34)8(29,30)6(25,26)4(22,18(49,50)51)19(52,53)54/h1-2H2,(H2,55,56,57)
InChIKey
VHQPVCVRRDZXSW-UHFFFAOYSA-N
Compound name
[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

993.94446 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 994.95174 249.6
[M+Na]+ 1016.9337 249.1
[M-H]- 992.93718 263.3
[M+NH4]+ 1011.9783 260.8
[M+K]+ 1032.9076 264.5
[M+H-H2O]+ 976.94172 232.4
[M+HCOO]- 1038.9427 261.9
[M+CH3COO]- 1052.9583 276.5
[M+Na-2H]- 1014.9191 249.6
[M]+ 993.94391 245.7
[M]- 993.94501 245.7
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.