CID 694780

66315-44-4

Structural Information

Molecular Formula

C₁₄H₁₃F₃N₂

SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C14H13F3N2/c15-14(16,17)11-6-7-13(12(18)8-11)19-9-10-4-2-1-3-5-10/h1-8,19H,9,18H2

InChIKey

UAUSRDXUDXPKCZ-UHFFFAOYSA-N

Compound name

1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 266.1031 Da
Monoisotopic Mass: 3.6
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]+	267.11038	156.7
[M+Na]+	289.09232	164.3
[M-H]-	265.09582	159.2
[M+NH4]+	284.13692	172.4
[M+K]+	305.06626	158.9
[M+H-H2O]+	249.10036	146.7
[M+HCOO]-	311.10130	177.7
[M+CH3COO]-	325.11695	201.4
[M+Na-2H]-	287.07777	161.9
[M]+	266.10255	150.2
[M]-	266.10365	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe