CID 604961

64312-89-6

Structural Information

Molecular Formula

C₁₀H₈ClF₃O₂

SMILES

COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F

InChI

InChI=1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

PAORVUMOXXAMPL-UHFFFAOYSA-N

Compound name

3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 1510
Patents: 252.0165 Da
Monoisotopic Mass: 3.3
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]+	253.02378	146.2
[M+Na]+	275.00572	155.1
[M-H]-	251.00922	146.1
[M+NH4]+	270.05032	164.1
[M+K]+	290.97966	151.4
[M+H-H2O]+	235.01376	139.2
[M+HCOO]-	297.01470	159.3
[M+CH3COO]-	311.03035	190.5
[M+Na-2H]-	272.99117	152.1
[M]+	252.01595	145.5
[M]-	252.01705	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe