CID 735814

175277-91-5

Structural Information

Molecular Formula

C₁₀H₁₃F₃N₂

SMILES

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

InChI

InChI=1S/C10H13F3N2/c1-6(2)15-9-4-3-7(5-8(9)14)10(11,12)13/h3-6,15H,14H2,1-2H3

InChIKey

ZNVHJHXDEMIHDL-UHFFFAOYSA-N

Compound name

1-N-propan-2-yl-4-(trifluoromethyl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 218.10309 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]+	219.11037	148.3
[M+Na]+	241.09231	155.8
[M+NH4]+	236.13691	153.8
[M+K]+	257.06625	151.3
[M-H]-	217.09581	146.3
[M+Na-2H]-	239.07776	152.0
[M]+	218.10254	148.4
[M]-	218.10364	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe