CID 2737122

2062-20-6

Structural Information

Molecular Formula

C₁₀H₆F₁₂O₄

SMILES

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

InChI

InChI=1S/C10H6F12O4/c1-25-3(23)5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4(24)26-2/h1-2H3

InChIKey

SLFDDMXEAUAENU-UHFFFAOYSA-N

Compound name

dimethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 418.00745 Da
Monoisotopic Mass: 4.0
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]+	419.01473	157.0
[M+Na]+	440.99667	164.6
[M-H]-	417.00017	164.8
[M+NH4]+	436.04127	168.8
[M+K]+	456.97061	168.2
[M+H-H2O]+	401.00471	161.5
[M+HCOO]-	463.00565	175.6
[M+CH3COO]-	477.02130	222.3
[M+Na-2H]-	438.98212	156.3
[M]+	418.00690	157.5
[M]-	418.00800	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe