CID 138396344

Dtxsid60895590

Structural Information

Molecular Formula
C26H10F42I2
SMILES
C(CC(CC(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)I)C(CC(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)I
InChI
InChI=1S/C26H10F42I2/c27-7(28,9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)19(51,52)21(55,56)23(59,60)25(63,64)65)3-5(69)1-2-6(70)4-8(29,30)10(33,34)12(37,38)14(41,42)16(45,46)18(49,50)20(53,54)22(57,58)24(61,62)26(66,67)68/h5-6H,1-4H2
InChIKey
LSSMOSYTCGGJLI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,26-dotetracontafluoro-12,15-diiodohexacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1373.8202 Da
Monoisotopic Mass

18.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1374.827476 313.1
[M+Na]+ 1396.809418 313.9
[M-H]- 1372.812924 322.7
[M+NH4]+ 1391.854023 321.7
[M+K]+ 1412.783358 325.6
[M+H-H2O]+ 1356.817460 304.4
[M+HCOO]- 1418.818401 319.2
[M+CH3COO]- 1432.834051 276.5
[M+Na-2H]- 1394.794866 313.2
[M]+ 1373.81965142 305.9
[M]- 1373.82074858 305.9
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.