CID 164885297

8:2/12:2 dipap

Structural Information

Molecular Formula
C24H9F42O4P
SMILES
C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)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/C24H9F42O4P/c25-5(26,1-3-69-71(67,68)70-4-2-6(27,28)8(31,32)10(35,36)12(39,40)17(49,50)19(53,54)21(57,58)23(61,62)63)7(29,30)9(33,34)11(37,38)13(41,42)14(43,44)15(45,46)16(47,48)18(51,52)20(55,56)22(59,60)24(64,65)66/h1-4H2,(H,67,68)
InChIKey
NVOURUSKSCSCRN-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 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 hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1189.9568 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1190.9641 281.4
[M+Na]+ 1212.9460 281.0
[M-H]- 1188.9495 294.3
[M+NH4]+ 1207.9906 291.6
[M+K]+ 1228.9200 294.9
[M+H-H2O]+ 1172.9541 267.9
[M+HCOO]- 1234.9550 290.9
[M+CH3COO]- 1248.9707 279.1
[M+Na-2H]- 1210.9315 282.2
[M]+ 1189.9563 274.5
[M]- 1189.9573 274.5
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.