CID 138396327

Dtxsid70895526

Structural Information

Molecular Formula
C28H16F42
SMILES
C(CCCCC(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)CCCC(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/C28H16F42/c29-9(30,11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)21(53,54)23(57,58)25(61,62)27(65,66)67)7-5-3-1-2-4-6-8-10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(51,52)22(55,56)24(59,60)26(63,64)28(68,69)70/h1-8H2
InChIKey
DINNCEFEQGXTPY-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,28-dotetracontafluorooctacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1150.0581 Da
Monoisotopic Mass

18.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1151.0654 266.6
[M+Na]+ 1173.0473 267.2
[M-H]- 1149.0508 277.7
[M+NH4]+ 1168.0919 276.5
[M+K]+ 1189.0213 282.2
[M+H-H2O]+ 1133.0554 255.7
[M+HCOO]- 1195.0563 276.8
[M+CH3COO]- 1209.0720 280.7
[M+Na-2H]- 1171.0328 269.5
[M]+ 1150.0576 259.1
[M]- 1150.0586 259.1
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.