CID 2776163

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

Structural Information

Molecular Formula
C8H5F13
SMILES
CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H2,1H3
InChIKey
SKRWRXWNQFQGRU-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

4996
Patents

348.01837 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.02565 164.6
[M+Na]+ 371.00759 173.9
[M-H]- 347.01109 150.7
[M+NH4]+ 366.05219 176.7
[M+K]+ 386.98153 170.8
[M+H-H2O]+ 331.01563 151.3
[M+HCOO]- 393.01657 164.7
[M+CH3COO]- 407.03222 214.0
[M+Na-2H]- 368.99304 167.8
[M]+ 348.01782 144.5
[M]- 348.01892 144.5
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