CID 20027940

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotridecane

Structural Information

Molecular Formula
C13H15F13
SMILES
CCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H15F13/c1-2-3-4-5-6-7-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2-7H2,1H3
InChIKey
OOYUDVCBUIKSAP-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

418.09662 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.10390 187.4
[M+Na]+ 441.08584 194.9
[M-H]- 417.08934 172.7
[M+NH4]+ 436.13044 171.6
[M+K]+ 457.05978 190.7
[M+H-H2O]+ 401.09388 173.3
[M+HCOO]- 463.09482 186.1
[M+CH3COO]- 477.11047 227.5
[M+Na-2H]- 439.07129 188.2
[M]+ 418.09607 169.2
[M]- 418.09717 169.2
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

patents stripe