CID 485420

90390-11-7

Structural Information

Molecular Formula

C₉H₁₀F₃N

SMILES

CNCC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C9H10F3N/c1-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3

InChIKey

YMSMEZAYZIYFGA-UHFFFAOYSA-N

Compound name

N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 344
Patents: 189.07654 Da
Monoisotopic Mass: 2.2
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]+	190.083816	136.0
[M+Na]+	212.065758	144.2
[M-H]-	188.069264	135.9
[M+NH4]+	207.110363	155.6
[M+K]+	228.039698	141.3
[M+H-H2O]+	172.073800	128.0
[M+HCOO]-	234.074741	156.8
[M+CH3COO]-	248.090391	185.3
[M+Na-2H]-	210.051206	142.6
[M]+	189.07599142	131.4
[M]-	189.07708858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe