CID 2775476

Methyl perfluorononanoate

Structural Information

Molecular Formula
C10H3F17O2
SMILES
COC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H3F17O2/c1-29-2(28)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H3
InChIKey
CFNCFMKWDPDIPT-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

348
Patents

477.98615 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.99343 162.8
[M+Na]+ 500.97537 162.9
[M+NH4]+ 496.01997 162.6
[M+K]+ 516.94931 163.1
[M-H]- 476.97887 161.3
[M+Na-2H]- 498.96082 163.0
[M]+ 477.98560 162.3
[M]- 477.98670 162.3
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