CID 53913948

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotetradecane

Structural Information

Molecular Formula
C14H15F15
SMILES
CCCCCCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H15F15/c1-2-3-4-5-6-7-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h2-7H2,1H3
InChIKey
JEXYDNQJEDESGU-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

468.0934 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.10068 172.5
[M+Na]+ 491.08262 178.7
[M-H]- 467.08612 174.2
[M+NH4]+ 486.12722 179.3
[M+K]+ 507.05656 186.0
[M+H-H2O]+ 451.09066 183.3
[M+HCOO]- 513.09160 192.2
[M+CH3COO]- 527.10725 235.9
[M+Na-2H]- 489.06807 198.8
[M]+ 468.09285 171.7
[M]- 468.09395 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe