CID 71752848

165325-62-2

Structural Information

Molecular Formula
C24H12F39O4P
SMILES
C(COP(=O)(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C24H12F39O4P/c25-7(26,10(31,32)13(37,38)16(43,44)19(49,50)22(55,56)57)1-4-65-68(64,66-5-2-8(27,28)11(33,34)14(39,40)17(45,46)20(51,52)23(58,59)60)67-6-3-9(29,30)12(35,36)15(41,42)18(47,48)21(53,54)24(61,62)63/h1-6H2
InChIKey
LCACBPBFZQHXSG-UHFFFAOYSA-N
Compound name
tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

1135.985 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1136.9923 271.8
[M+Na]+ 1158.9742 271.7
[M-H]- 1134.9777 284.7
[M+NH4]+ 1154.0188 283.7
[M+K]+ 1174.9482 286.8
[M+H-H2O]+ 1118.9823 257.2
[M+HCOO]- 1180.9832 283.1
[M+CH3COO]- 1194.9989 282.6
[M+Na-2H]- 1156.9597 272.0
[M]+ 1135.9845 266.7
[M]- 1135.9855 266.7
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

patents stripe