CID 99769050

Dtxsid30895264

Structural Information

Molecular Formula
C14H12F18
SMILES
C(CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H12F18/c15-7(16,9(19,20)11(23,24)13(27,28)29)5-3-1-2-4-6-8(17,18)10(21,22)12(25,26)14(30,31)32/h1-6H2
InChIKey
JVDWPFAGFJGSIM-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,11,11,12,12,13,13,14,14,14-octadecafluorotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

522.0652 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.07248 176.6
[M+Na]+ 545.05442 182.1
[M-H]- 521.05792 180.1
[M+NH4]+ 540.09902 184.4
[M+K]+ 561.02836 191.3
[M+H-H2O]+ 505.06246 166.0
[M+HCOO]- 567.06340 195.9
[M+CH3COO]- 581.07905 243.1
[M+Na-2H]- 543.03987 174.9
[M]+ 522.06465 174.7
[M]- 522.06575 174.7
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.