CID 12655961

Perfluorononanoyl fluoride

Structural Information

Molecular Formula

C₉F₁₈O

SMILES

C(=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)F

InChI

InChI=1S/C9F18O/c10-1(28)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27

InChIKey

OLVCKTXXONYSKV-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl fluoride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 87
Patents: 465.9662 Da
Monoisotopic Mass: 6.1
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]+	466.973476	159.1
[M+Na]+	488.955418	165.8
[M-H]-	464.958924	166.5
[M+NH4]+	484.000023	169.3
[M+K]+	504.929358	173.5
[M+H-H2O]+	448.963460	149.8
[M+HCOO]-	510.964401	178.7
[M+CH3COO]-	524.980051	232.5
[M+Na-2H]-	486.940866	160.2
[M]+	465.96565142	157.6
[M]-	465.96674858	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe