PubChemLite - C3f7[2-(methacryloxy)ethylphosphonic acid]n-c3f7 (C12H11F14O6P)

Structural Information

Molecular Formula

SMILES

CC(CC(C(C(F)(F)F)(F)F)(F)F)(C(=O)OCCOP(=O)(O)O)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C12H11F14O6P/c1-6(5(27)31-2-3-32-33(28,29)30,8(15,16)10(19,20)12(24,25)26)4-7(13,14)9(17,18)11(21,22)23/h2-4H2,1H3,(H2,28,29,30)

InChIKey

GMDQPAWPYYPWCY-UHFFFAOYSA-N

Compound name

2-phosphonooxyethyl 4,4,5,5,6,6,6-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylhexanoate

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]+	549.01424	179.9
[M+Na]+	570.99618	182.3
[M-H]-	546.99968	189.4
[M+NH4]+	566.04078	189.9
[M+K]+	586.97012	188.5
[M+H-H2O]+	531.00422	162.0
[M+HCOO]-	593.00516	197.5
[M+CH3COO]-	607.02081	237.9
[M+Na-2H]-	568.98163	173.7
[M]+	548.00641	177.7
[M]-	548.00751	177.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

549.01424

179.9

[M+Na]+

570.99618

182.3

[M-H]-

546.99968

189.4

[M+NH4]+

566.04078

189.9

[M+K]+

586.97012

188.5

[M+H-H2O]+

531.00422

162.0

[M+HCOO]-

593.00516

197.5

[M+CH3COO]-

607.02081

237.9

[M+Na-2H]-

568.98163

173.7

[M]+

548.00641

177.7

[M]-

548.00751

177.7

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

C3f7[2-(methacryloxy)ethylphosphonic acid]n-c3f7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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