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
2
Annotation Hits

0
References

26
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 182.6
[M+Na]+ 599.02609 187.3
[M-H]- 575.02959 189.5
[M+NH4]+ 594.07069 192.4
[M+K]+ 615.00003 199.1
[M+H-H2O]+ 559.03413 170.4
[M+HCOO]- 621.03507 201.8
[M+CH3COO]- 635.05072 250.8
[M+Na-2H]- 597.01154 182.4
[M]+ 576.03632 181.4
[M]- 576.03742 181.4
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