CID 59842833

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

Structural Information

Molecular Formula

C₆H₉ClF₃NO

SMILES

CCN(CC(F)(F)F)C(=O)CCl

InChI

InChI=1S/C6H9ClF3NO/c1-2-11(5(12)3-7)4-6(8,9)10/h2-4H2,1H3

InChIKey

WSCPWJANBHNLSY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.03247 Da
Monoisotopic Mass: 1.8
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]+	204.03975	136.5
[M+Na]+	226.02169	144.6
[M-H]-	202.02519	134.4
[M+NH4]+	221.06629	156.9
[M+K]+	241.99563	142.9
[M+H-H2O]+	186.02973	130.2
[M+HCOO]-	248.03067	152.2
[M+CH3COO]-	262.04632	188.5
[M+Na-2H]-	224.00714	140.4
[M]+	203.03192	135.9
[M]-	203.03302	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe