CID 16227553

2060021-70-5

Structural Information

Molecular Formula

C₁₁H₁₁F₃N₂O

SMILES

C1CC1C(=O)NC2=CC(=C(C=C2)N)C(F)(F)F

InChI

InChI=1S/C11H11F3N2O/c12-11(13,14)8-5-7(3-4-9(8)15)16-10(17)6-1-2-6/h3-6H,1-2,15H2,(H,16,17)

InChIKey

KBEJBXIBRLQHSK-UHFFFAOYSA-N

Compound name

N-[4-amino-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.08235 Da
Monoisotopic Mass: 2.5
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]+	245.089626	141.0
[M+Na]+	267.071568	150.1
[M-H]-	243.075074	144.7
[M+NH4]+	262.116173	153.2
[M+K]+	283.045508	145.5
[M+H-H2O]+	227.079610	132.2
[M+HCOO]-	289.080551	161.8
[M+CH3COO]-	303.096201	199.2
[M+Na-2H]-	265.057016	145.3
[M]+	244.08180142	137.5
[M]-	244.08289858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.