CID 99769052

1,1,1,2,2,3,3,4,4,5,5,6,6,13,13,14,14,15,15,16,16,17,17,18,18,18-hexacosafluorooctadecane

Structural Information

Molecular Formula
C18H12F26
SMILES
C(CCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H12F26/c19-7(20,9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)5-3-1-2-4-6-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h1-6H2
InChIKey
MMCIGPKUQANRMI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,13,13,14,14,15,15,16,16,17,17,18,18,18-hexacosafluorooctadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

722.05237 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.05965 204.2
[M+Na]+ 745.04159 207.4
[M-H]- 721.04509 212.6
[M+NH4]+ 740.08619 215.0
[M+K]+ 761.01553 222.2
[M+H-H2O]+ 705.04963 191.0
[M+HCOO]- 767.05057 221.2
[M+CH3COO]- 781.06622 267.0
[M+Na-2H]- 743.02704 204.4
[M]+ 722.05182 201.7
[M]- 722.05292 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.