CID 16206054

94200-44-9

Structural Information

Molecular Formula
C19H8F33O5P
SMILES
C(C(COP(=O)(O)O)O)C(C(C(C(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)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H8F33O5P/c20-4(21,1-3(53)2-57-58(54,55)56)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)17(46,47)18(48,49)19(50,51)52/h3,53H,1-2H2,(H2,54,55,56)
InChIKey
AGKXMXVIKUJGIA-UHFFFAOYSA-N
Compound name
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-tritriacontafluoro-2-hydroxynonadecyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

973.95825 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 974.96553 248.7
[M+Na]+ 996.94747 247.6
[M-H]- 972.95097 262.9
[M+NH4]+ 991.99207 259.9
[M+K]+ 1012.9214 263.5
[M+H-H2O]+ 956.95551 230.2
[M+HCOO]- 1018.9565 259.3
[M+CH3COO]- 1032.9721 276.6
[M+Na-2H]- 994.93292 247.2
[M]+ 973.95770 245.3
[M]- 973.95880 245.3
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.