CID 3017639

Tripentacontafluoro-26-iodohexacosane

Structural Information

Molecular Formula
C26F53I
SMILES
C(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)(F)F)(C(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)(F)F
InChI
InChI=1S/C26F53I/c27-1(28,3(31,32)5(35,36)7(39,40)9(43,44)11(47,48)13(51,52)15(55,56)17(59,60)19(63,64)21(67,68)23(71,72)25(75,76)77)2(29,30)4(33,34)6(37,38)8(41,42)10(45,46)12(49,50)14(53,54)16(57,58)18(61,62)20(65,66)22(69,70)24(73,74)26(78,79)80
InChIKey
JKPQYAMTJKRMMG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26-tripentacontafluoro-26-iodohexacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1445.8198 Da
Monoisotopic Mass

18.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1446.827076 316.9
[M+Na]+ 1468.809018 317.3
[M-H]- 1444.812524 326.9
[M+NH4]+ 1463.853623 323.1
[M+K]+ 1484.782958 326.2
[M+H-H2O]+ 1428.817060 310.4
[M+HCOO]- 1490.818001 322.8
[M+CH3COO]- 1504.833651 269.4
[M+Na-2H]- 1466.794466 319.1
[M]+ 1445.81925142 304.0
[M]- 1445.82034858 304.0
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.