CID 526464

Methyl perfluorohexanoate

Structural Information

Molecular Formula
C7H3F11O2
SMILES
COC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F11O2/c1-20-2(19)3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h1H3
InChIKey
NJXMLQHJFDKLKL-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

109
References

28
Patents

327.99573 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.00301 185.7
[M+Na]+ 350.98495 185.8
[M+NH4]+ 346.02955 184.6
[M+K]+ 366.95889 183.9
[M-H]- 326.98845 178.9
[M+Na-2H]- 348.97040 182.7
[M]+ 327.99518 183.5
[M]- 327.99628 183.5
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