CID 2782529

96250-37-2

Structural Information

Molecular Formula

C₆H₅F₅O₂

SMILES

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

InChI

InChI=1S/C6H5F5O2/c1-3(7)4(12)13-2-6(10,11)5(8)9/h5H,1-2H2

InChIKey

OOPSTBSKXWPLKJ-UHFFFAOYSA-N

Compound name

2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 106
Patents: 204.02097 Da
Monoisotopic Mass: 2.5
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]+	205.02825	133.9
[M+Na]+	227.01019	141.7
[M-H]-	203.01369	127.9
[M+NH4]+	222.05479	152.5
[M+K]+	242.98413	140.9
[M+H-H2O]+	187.01823	125.5
[M+HCOO]-	249.01917	148.8
[M+CH3COO]-	263.03482	185.6
[M+Na-2H]-	224.99564	135.2
[M]+	204.02042	127.8
[M]-	204.02152	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe