CID 22002799

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane

Structural Information

Molecular Formula
C14H9F21
SMILES
CCCCC(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
InChI
InChI=1S/C14H9F21/c1-2-3-4-5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)35/h2-4H2,1H3
InChIKey
YSLCLCFQFQCLPG-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-henicosafluorotetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

576.03687 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.04415 160.9
[M+Na]+ 599.02609 161.0
[M+NH4]+ 594.07069 160.9
[M+K]+ 615.00003 153.0
[M-H]- 575.02959 160.6
[M+Na-2H]- 597.01154 161.5
[M]+ 576.03632 160.8
[M]- 576.03742 160.8
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