CID 15266676

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

Structural Information

Molecular Formula
C13H13F15
SMILES
CCCCCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H13F15/c1-2-3-4-5-6-7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h2-6H2,1H3
InChIKey
IOYBNVFBNAHBMT-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

454.07776 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.08504 194.1
[M+Na]+ 477.06698 175.1
[M-H]- 453.07048 170.7
[M+NH4]+ 472.11158 175.5
[M+K]+ 493.04092 197.8
[M+H-H2O]+ 437.07502 179.1
[M+HCOO]- 499.07596 188.7
[M+CH3COO]- 513.09161 233.3
[M+Na-2H]- 475.05243 194.9
[M]+ 454.07721 168.1
[M]- 454.07831 168.1
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