CID 9629

354-13-2

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C2Cl3FO/c3-2(4,5)1(6)7

InChIKey

LNDJIMKADVTHOS-UHFFFAOYSA-N

Compound name

2,2,2-trichloroacetyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 163.89987 Da
Monoisotopic Mass: 2.1
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]+	164.90715	120.4
[M+Na]+	186.88909	130.7
[M-H]-	162.89259	118.6
[M+NH4]+	181.93369	142.1
[M+K]+	202.86303	126.7
[M+H-H2O]+	146.89713	118.8
[M+HCOO]-	208.89807	127.4
[M+CH3COO]-	222.91372	174.3
[M+Na-2H]-	184.87454	126.3
[M]+	163.89932	120.9
[M]-	163.90042	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe