CID 99769064

Dtxsid10895282

Structural Information

Molecular Formula
C16H16F18
SMILES
C(CCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H16F18/c17-9(18,11(21,22)13(25,26)15(29,30)31)7-5-3-1-2-4-6-8-10(19,20)12(23,24)14(27,28)16(32,33)34/h1-8H2
InChIKey
PYHMZNIOZVWFDK-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,13,13,14,14,15,15,16,16,16-octadecafluorohexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

550.09644 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.10372 183.9
[M+Na]+ 573.08566 189.1
[M-H]- 549.08916 186.8
[M+NH4]+ 568.13026 191.7
[M+K]+ 589.05960 199.0
[M+H-H2O]+ 533.09370 173.1
[M+HCOO]- 595.09464 202.5
[M+CH3COO]- 609.11029 247.9
[M+Na-2H]- 571.07111 181.4
[M]+ 550.09589 181.8
[M]- 550.09699 181.8
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

patents stripe