CID 67912

Pentafluoropropionyl fluoride

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3F6O/c4-1(10)2(5,6)3(7,8)9

InChIKey

YLCLKCNTDGWDMD-UHFFFAOYSA-N

Compound name

2,2,3,3,3-pentafluoropropanoyl fluoride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 788
Patents: 165.98534 Da
Monoisotopic Mass: 2.0
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]+	166.99262	120.9
[M+Na]+	188.97456	130.5
[M-H]-	164.97806	114.2
[M+NH4]+	184.01916	141.1
[M+K]+	204.94850	129.7
[M+H-H2O]+	148.98260	112.6
[M+HCOO]-	210.98354	135.5
[M+CH3COO]-	224.99919	177.4
[M+Na-2H]-	186.96001	126.2
[M]+	165.98479	112.1
[M]-	165.98589	112.1

Literature stripe

literature stripe

Patent stripe

patents stripe