CID 138396346

Dtxsid90895604

Structural Information

Molecular Formula
C30H10F50I2
SMILES
C(CC(CC(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)I)C(CC(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)I
InChI
InChI=1S/C30H10F50I2/c31-7(32,9(35,36)11(39,40)13(43,44)15(47,48)17(51,52)19(55,56)21(59,60)23(63,64)25(67,68)27(71,72)29(75,76)77)3-5(81)1-2-6(82)4-8(33,34)10(37,38)12(41,42)14(45,46)16(49,50)18(53,54)20(57,58)22(61,62)24(65,66)26(69,70)28(73,74)30(78,79)80/h5-6H,1-4H2
InChIKey
ORKJDGJQRJIXIG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,30-pentacontafluoro-14,17-diiodotriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1573.8074 Da
Monoisotopic Mass

21.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1574.8147 152.5
[M+Na]+ 1596.7966 152.5
[M+NH4]+ 1591.8412 152.5
[M+K]+ 1612.7706 152.5
[M-H]- 1572.8001 152.5
[M+Na-2H]- 1594.7821 152.5
[M]+ 1573.8069 152.5
[M]- 1573.8079 152.5
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.