CID 2369607

2-chloro-n-(2,2,2-trifluoroethyl)acetamide

Structural Information

Molecular Formula

C₄H₅ClF₃NO

SMILES

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

InChI

InChI=1S/C4H5ClF3NO/c5-1-3(10)9-2-4(6,7)8/h1-2H2,(H,9,10)

InChIKey

IRIXZMVHMMALGW-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,2,2-trifluoroethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 175.00117 Da
Monoisotopic Mass: 1.3
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]+	176.00845	127.6
[M+Na]+	197.99039	136.3
[M-H]-	173.99389	124.3
[M+NH4]+	193.03499	148.4
[M+K]+	213.96433	133.7
[M+H-H2O]+	157.99843	121.8
[M+HCOO]-	219.99937	143.4
[M+CH3COO]-	234.01502	178.9
[M+Na-2H]-	195.97584	133.2
[M]+	175.00062	124.9
[M]-	175.00172	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe