CID 123516

45115-53-5

Structural Information

Molecular Formula

C₇H₇F₅O₂

SMILES

CC(=C)C(=O)OCC(C(F)(F)F)(F)F

InChI

InChI=1S/C7H7F5O2/c1-4(2)5(13)14-3-6(8,9)7(10,11)12/h1,3H2,2H3

InChIKey

CLISWDZSTWQFNX-UHFFFAOYSA-N

Compound name

2,2,3,3,3-pentafluoropropyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3178
Patents: 218.03662 Da
Monoisotopic Mass: 2.9
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]+	219.04390	159.9
[M+Na]+	241.02584	163.6
[M+NH4]+	236.07044	161.8
[M+K]+	256.99978	160.9
[M-H]-	217.02934	151.1
[M+Na-2H]-	239.01129	158.2
[M]+	218.03607	157.4
[M]-	218.03717	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe