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]+ 1374.8275 313.1
[M+Na]+ 1396.8094 313.9
[M-H]- 1372.8129 322.7
[M+NH4]+ 1391.8540 321.7
[M+K]+ 1412.7834 325.6
[M+H-H2O]+ 1356.8175 304.4
[M+HCOO]- 1418.8184 319.2
[M+CH3COO]- 1432.8341 276.5
[M+Na-2H]- 1394.7949 313.2
[M]+ 1373.8197 305.9
[M]- 1373.8207 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.