CID 485442

Benzenemethanamine, 4-chloro-n-ethyl-3-(trifluoromethyl)-

Structural Information

Molecular Formula

C₁₀H₁₁ClF₃N

SMILES

CCNCC1=CC(=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C10H11ClF3N/c1-2-15-6-7-3-4-9(11)8(5-7)10(12,13)14/h3-5,15H,2,6H2,1H3

InChIKey

JWVORZCVWHSYAE-UHFFFAOYSA-N

Compound name

N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 237.0532 Da
Monoisotopic Mass: 3.2
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]+	238.060476	146.2
[M+Na]+	260.042418	155.7
[M-H]-	236.045924	146.1
[M+NH4]+	255.087023	165.1
[M+K]+	276.016358	150.5
[M+H-H2O]+	220.050460	138.9
[M+HCOO]-	282.051401	162.1
[M+CH3COO]-	296.067051	193.2
[M+Na-2H]-	258.027866	151.1
[M]+	237.05265142	144.4
[M]-	237.05374858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe