CID 2769648

27746-99-2

Structural Information

Molecular Formula

C₃H₂ClF₃O₂

SMILES

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

InChI

InChI=1S/C3H2ClF3O2/c4-2(8)9-1-3(5,6)7/h1H2

InChIKey

UJZBSAONPRVEIJ-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 418
Patents: 161.96954 Da
Monoisotopic Mass: 2.3
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]+	162.97682	120.5
[M+Na]+	184.95876	130.5
[M-H]-	160.96226	117.5
[M+NH4]+	180.00336	142.2
[M+K]+	200.93270	128.8
[M+H-H2O]+	144.96680	115.3
[M+HCOO]-	206.96774	135.9
[M+CH3COO]-	220.98339	173.2
[M+Na-2H]-	182.94421	126.7
[M]+	161.96899	119.7
[M]-	161.97009	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe