CID 93768

57678-07-6

Structural Information

Molecular Formula
C14H6F25O4P
SMILES
C(COP(=O)(O)O)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/C14H6F25O4P/c15-3(16,1-2-43-44(40,41)42)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2,(H2,40,41,42)
InChIKey
ROUGOWJCVFOXHO-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

743.96045 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 744.96773 152.6
[M+Na]+ 766.94967 152.6
[M+NH4]+ 761.99427 152.6
[M+K]+ 782.92361 152.6
[M-H]- 742.95317 152.6
[M+Na-2H]- 764.93512 152.6
[M]+ 743.95990 152.6
[M]- 743.96100 152.6
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