CID 2769668

Perfluoropentanoic anhydride

Structural Information

Molecular Formula

C₁₀F₁₈O₃

SMILES

C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10F18O3/c11-3(12,5(15,16)7(19,20)9(23,24)25)1(29)31-2(30)4(13,14)6(17,18)8(21,22)10(26,27)28

InChIKey

YHNMNWOUFKIZLY-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,5-nonafluoropentanoyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 49
Patents: 509.956 Da
Monoisotopic Mass: 6.2
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]+	510.963276	166.6
[M+Na]+	532.945218	173.3
[M-H]-	508.948724	177.0
[M+NH4]+	527.989823	179.6
[M+K]+	548.919158	181.1
[M+H-H2O]+	492.953260	157.9
[M+HCOO]-	554.954201	184.6
[M+CH3COO]-	568.969851	236.1
[M+Na-2H]-	530.930666	167.4
[M]+	509.95545142	164.9
[M]-	509.95654858	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe