PubChemLite - 11-(perfluoro-n-octyl)undec-10-en-1-ol (C19H21F17O)

Structural Information

Molecular Formula

SMILES

C(CCCC/C=C/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)CCCCO

InChI

InChI=1S/C19H21F17O/c20-12(21,10-8-6-4-2-1-3-5-7-9-11-37)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h8,10,37H,1-7,9,11H2/b10-8+

InChIKey

MUCVGEGAZDOIDJ-CSKARUKUSA-N

Compound name

(E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol

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]+	589.13938	191.2
[M+Na]+	611.12132	195.2
[M-H]-	587.12482	194.1
[M+NH4]+	606.16592	197.9
[M+K]+	627.09526	205.5
[M+H-H2O]+	571.12936	179.0
[M+HCOO]-	633.13030	208.3
[M+CH3COO]-	647.14595	251.3
[M+Na-2H]-	609.10677	186.7
[M]+	588.13155	188.4
[M]-	588.13265	188.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

589.13938

191.2

[M+Na]+

611.12132

195.2

[M-H]-

587.12482

194.1

[M+NH4]+

606.16592

197.9

[M+K]+

627.09526

205.5

[M+H-H2O]+

571.12936

179.0

[M+HCOO]-

633.13030

208.3

[M+CH3COO]-

647.14595

251.3

[M+Na-2H]-

609.10677

186.7

[M]+

588.13155

188.4

[M]-

588.13265

188.4

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

11-(perfluoro-n-octyl)undec-10-en-1-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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