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

3
Annotation Hits: 0
References: 303
Patents: 477.98615 Da
Monoisotopic Mass: 5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	478.993426	162.7
[M+Na]+	500.975368	169.1
[M-H]-	476.978874	170.7
[M+NH4]+	496.019973	173.6
[M+K]+	516.949308	176.7
[M+H-H2O]+	460.983410	153.3
[M+HCOO]-	522.984351	182.4
[M+CH3COO]-	537.000001	233.5
[M+Na-2H]-	498.960816	163.0
[M]+	477.98560142	162.0
[M]-	477.98669858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe