CID 93767

57678-05-4

Structural Information

Molecular Formula
C12H6F21O4P
SMILES
C(COP(=O)(O)O)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/C12H6F21O4P/c13-3(14,1-2-37-38(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2,(H2,34,35,36)
InChIKey
MCYKSXMNSXNCIY-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 dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

643.96686 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.97414 153.0
[M+Na]+ 666.95608 153.0
[M+NH4]+ 662.00068 153.0
[M+K]+ 682.93002 153.0
[M-H]- 642.95958 153.0
[M+Na-2H]- 664.94153 153.0
[M]+ 643.96631 153.0
[M]- 643.96741 153.0
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

patents stripe