CID 22292514

Pentadecafluoroheptyl 2-methylprop-2-enoate

Structural Information

Molecular Formula

C₁₁H₅F₁₅O₂

SMILES

CC(=C)C(=O)OC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C11H5F15O2/c1-3(2)4(27)28-11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h1H2,2H3

InChIKey

HEFHMJVNMXDZKE-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 218
Patents: 454.005 Da
Monoisotopic Mass: 6.3
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]+	455.012276	163.5
[M+Na]+	476.994218	171.1
[M-H]-	452.997724	171.5
[M+NH4]+	472.038823	175.0
[M+K]+	492.968158	177.5
[M+H-H2O]+	437.002260	155.7
[M+HCOO]-	499.003201	181.5
[M+CH3COO]-	513.018851	230.0
[M+Na-2H]-	474.979666	163.5
[M]+	454.00445142	162.7
[M]-	454.00554858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe