PubChemLite - 52956-81-7 (C16H7F23O2)

Structural Information

Molecular Formula

SMILES

C=CC(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H7F23O2/c1-2-5(40)41-4-3-6(17,18)8(20,21)10(24,25)12(28,29)14(32,33)13(30,31)11(26,27)9(22,23)7(19,15(34,35)36)16(37,38)39/h2H,1,3-4H2

InChIKey

SFACOKSPHOGYDO-UHFFFAOYSA-N

Compound name

[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] prop-2-enoate

Related CIDs

2D Structure

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]+	669.01518	152.7
[M+Na]+	690.99712	152.7
[M+NH4]+	686.04172	152.7
[M+K]+	706.97106	152.7
[M-H]-	667.00062	152.7
[M+Na-2H]-	688.98257	152.7
[M]+	668.00735	152.7
[M]-	668.00845	152.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

669.01518

152.7

[M+Na]+

690.99712

152.7

[M+NH4]+

686.04172

152.7

[M+K]+

706.97106

152.7

[M-H]-

667.00062

152.7

[M+Na-2H]-

688.98257

152.7

[M]+

668.00735

152.7

[M]-

668.00845

152.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

52956-81-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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