CID 81646774

2,2,3,3,3-pentafluoropropyl chloroformate

Structural Information

Molecular Formula

C₄H₂ClF₅O₂

SMILES

C(C(C(F)(F)F)(F)F)OC(=O)Cl

InChI

InChI=1S/C4H2ClF5O2/c5-2(11)12-1-3(6,7)4(8,9)10/h1H2

InChIKey

YEYFLYDQBAHTBK-UHFFFAOYSA-N

Compound name

2,2,3,3,3-pentafluoropropyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 211.96635 Da
Monoisotopic Mass: 3.0
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]+	212.97363	129.3
[M+Na]+	234.95557	139.4
[M-H]-	210.95907	123.8
[M+NH4]+	230.00017	148.8
[M+K]+	250.92951	137.0
[M+H-H2O]+	194.96361	122.5
[M+HCOO]-	256.96455	140.7
[M+CH3COO]-	270.98020	182.4
[M+Na-2H]-	232.94102	134.7
[M]+	211.96580	125.7
[M]-	211.96690	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe