CID 139598138

Mhopflca n=9

Structural Information

Molecular Formula

C₁₂H₅F₁₉O₃

SMILES

C(C(=O)O)OCC(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)F

InChI

InChI=1S/C12H5F19O3/c13-4(14,2-34-1-3(32)33)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)31/h1-2H2,(H,32,33)

InChIKey

ZAGFGQKQIYHIHM-UHFFFAOYSA-N

Compound name

2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 557.9935 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]+	559.000776	172.8
[M+Na]+	580.982718	177.1
[M-H]-	556.986224	181.9
[M+NH4]+	576.027323	183.3
[M+K]+	596.956658	187.0
[M+H-H2O]+	540.990760	161.4
[M+HCOO]-	602.991701	190.2
[M+CH3COO]-	617.007351	243.5
[M+Na-2H]-	578.968166	172.1
[M]+	557.99295142	171.0
[M]-	557.99404858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.