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
2
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]+ 1574.814676 334.1
[M+Na]+ 1596.796618 334.5
[M-H]- 1572.800124 343.0
[M+NH4]+ 1591.841223 340.4
[M+K]+ 1612.770558 343.3
[M+H-H2O]+ 1556.804660 327.7
[M+HCOO]- 1618.805601 338.3
[M+CH3COO]- 1632.821251 271.3
[M+Na-2H]- 1594.782066 334.4
[M]+ 1573.80685142 324.0
[M]- 1573.80794858 324.0
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.