PubChemLite - 2-(perfluorododecyl)ethyl acrylate (C17H7F25O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C17H7F25O2/c1-2-5(43)44-4-3-6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)42/h2H,1,3-4H2

InChIKey

SWTZSHBOMGAQKX-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl 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]+	719.01198	203.6
[M+Na]+	740.99392	207.4
[M-H]-	716.99742	215.4
[M+NH4]+	736.03852	217.0
[M+K]+	756.96786	221.7
[M+H-H2O]+	701.00196	190.7
[M+HCOO]-	763.00290	220.2
[M+CH3COO]-	777.01855	264.7
[M+Na-2H]-	738.97937	204.1
[M]+	718.00415	202.1
[M]-	718.00525	202.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

719.01198

203.6

[M+Na]+

740.99392

207.4

[M-H]-

716.99742

215.4

[M+NH4]+

736.03852

217.0

[M+K]+

756.96786

221.7

[M+H-H2O]+

701.00196

190.7

[M+HCOO]-

763.00290

220.2

[M+CH3COO]-

777.01855

264.7

[M+Na-2H]-

738.97937

204.1

[M]+

718.00415

202.1

[M]-

718.00525

202.1

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

2-(perfluorododecyl)ethyl acrylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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