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]+ 1179.096776 271.1
[M+Na]+ 1201.078718 271.5
[M-H]- 1177.082224 282.0
[M+NH4]+ 1196.123323 281.0
[M+K]+ 1217.052658 286.8
[M+H-H2O]+ 1161.086760 260.1
[M+HCOO]- 1223.087701 281.0
[M+CH3COO]- 1237.103351 282.3
[M+Na-2H]- 1199.064166 273.5
[M]+ 1178.08895142 263.7
[M]- 1178.09004858 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.