CID 18448866

1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluorooctane

Structural Information

Molecular Formula
C8H4F14
SMILES
C(CF)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F14/c9-2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2
InChIKey
XMARUQLFZIUIRE-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

366.00894 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01622 168.6
[M+Na]+ 388.99816 178.0
[M-H]- 365.00166 153.7
[M+NH4]+ 384.04276 179.9
[M+K]+ 404.97210 174.5
[M+H-H2O]+ 349.00620 154.5
[M+HCOO]- 411.00714 167.8
[M+CH3COO]- 425.02279 216.8
[M+Na-2H]- 386.98361 171.0
[M]+ 366.00839 147.1
[M]- 366.00949 147.1
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