CID 15515079

1020920-65-3

Structural Information

Molecular Formula

C₁₀H₁₂F₃N

SMILES

CC(C)NC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C10H12F3N/c1-7(2)14-9-5-3-8(4-6-9)10(11,12)13/h3-7,14H,1-2H3

InChIKey

FCJVIALJMINVOV-UHFFFAOYSA-N

Compound name

N-propan-2-yl-4-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 203.09218 Da
Monoisotopic Mass: 4.0
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]+	204.09946	140.8
[M+Na]+	226.08140	148.3
[M-H]-	202.08490	140.7
[M+NH4]+	221.12600	159.8
[M+K]+	242.05534	145.7
[M+H-H2O]+	186.08944	132.7
[M+HCOO]-	248.09038	160.3
[M+CH3COO]-	262.10603	189.1
[M+Na-2H]-	224.06685	145.6
[M]+	203.09163	135.9
[M]-	203.09273	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe