CID 136184

357-83-5

Structural Information

Molecular Formula

C₆H₁₁ClF₃N

SMILES

CCN(CC)C(C(F)Cl)(F)F

InChI

InChI=1S/C6H11ClF3N/c1-3-11(4-2)6(9,10)5(7)8/h5H,3-4H2,1-2H3

InChIKey

BDZHKUAKSMWSAJ-UHFFFAOYSA-N

Compound name

2-chloro-N,N-diethyl-1,1,2-trifluoroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1085
Patents: 189.0532 Da
Monoisotopic Mass: 2.9
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]+	190.060476	134.8
[M+Na]+	212.042418	142.4
[M-H]-	188.045924	132.5
[M+NH4]+	207.087023	155.7
[M+K]+	228.016358	140.8
[M+H-H2O]+	172.050460	128.4
[M+HCOO]-	234.051401	149.9
[M+CH3COO]-	248.067051	188.9
[M+Na-2H]-	210.027866	138.6
[M]+	189.05265142	133.5
[M]-	189.05374858	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe