CID 138396332

Dtxsid50895549

Structural Information

Molecular Formula
C30H20F42
SMILES
C(CCCCCC(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)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
InChI
InChI=1S/C30H20F42/c31-11(32,13(35,36)15(39,40)17(43,44)19(47,48)21(51,52)23(55,56)25(59,60)27(63,64)29(67,68)69)9-7-5-3-1-2-4-6-8-10-12(33,34)14(37,38)16(41,42)18(45,46)20(49,50)22(53,54)24(57,58)26(61,62)28(65,66)30(70,71)72/h1-10H2
InChIKey
IMGWTCMULAUXKG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,30-dotetracontafluorotriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1178.0895 Da
Monoisotopic Mass

19.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1179.0968 271.1
[M+Na]+ 1201.0787 271.5
[M-H]- 1177.0822 282.0
[M+NH4]+ 1196.1233 281.0
[M+K]+ 1217.0527 286.8
[M+H-H2O]+ 1161.0868 260.1
[M+HCOO]- 1223.0877 281.0
[M+CH3COO]- 1237.1034 282.3
[M+Na-2H]- 1199.0642 273.5
[M]+ 1178.0890 263.7
[M]- 1178.0900 263.7
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

No patent data available for this compound.