CID 3016116

Nonatetracontafluoro-24-iodotetracosane

Structural Information

Molecular Formula
C24F49I
SMILES
C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(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
InChI
InChI=1S/C24F49I/c25-1(26,3(29,30)5(33,34)7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)71)2(27,28)4(31,32)6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(72,73)74
InChIKey
JRJHYWMITKGGTN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24-nonatetracontafluoro-24-iodotetracosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

1345.8262 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1346.8335 152.5
[M+Na]+ 1368.8154 152.5
[M+NH4]+ 1363.8600 152.5
[M+K]+ 1384.7894 152.5
[M-H]- 1344.8189 152.5
[M+Na-2H]- 1366.8009 152.5
[M]+ 1345.8257 152.5
[M]- 1345.8267 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

patents stripe