CID 99769051

Dtxsid50895327

Structural Information

Molecular Formula
C16H12F22
SMILES
C(CCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H12F22/c17-7(18,9(21,22)11(25,26)13(29,30)15(33,34)35)5-3-1-2-4-6-8(19,20)10(23,24)12(27,28)14(31,32)16(36,37)38/h1-6H2
InChIKey
VWDQEOUJCKTHTF-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,12,12,13,13,14,14,15,15,16,16,16-docosafluorohexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

622.0588 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.06608 190.4
[M+Na]+ 645.04802 194.7
[M-H]- 621.05152 196.6
[M+NH4]+ 640.09262 200.0
[M+K]+ 661.02196 207.1
[M+H-H2O]+ 605.05606 178.1
[M+HCOO]- 667.05700 208.7
[M+CH3COO]- 681.07265 256.6
[M+Na-2H]- 643.03347 189.5
[M]+ 622.05825 188.2
[M]- 622.05935 188.2
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.