CID 87277022

(perfluorohexyl)ethyl ether

Structural Information

Molecular Formula
C8H5F13O
SMILES
CCOC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F13O/c1-2-22-8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h2H2,1H3
InChIKey
KKOZACSVPTWBIT-UHFFFAOYSA-N
Compound name
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

364.01328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.02056 167.8
[M+Na]+ 387.00250 177.1
[M-H]- 363.00600 153.8
[M+NH4]+ 382.04710 179.3
[M+K]+ 402.97644 174.4
[M+H-H2O]+ 347.01054 154.4
[M+HCOO]- 409.01148 168.2
[M+CH3COO]- 423.02713 215.7
[M+Na-2H]- 384.98795 171.3
[M]+ 364.01273 149.1
[M]- 364.01383 149.1
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