CID 2773497

157590-59-5

Structural Information

Molecular Formula

C₇H₆ClF₃N₂

SMILES

C1=C(C(=CC(=C1N)N)Cl)C(F)(F)F

InChI

InChI=1S/C7H6ClF3N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2

InChIKey

BUSGYQISMPLVIJ-UHFFFAOYSA-N

Compound name

4-chloro-5-(trifluoromethyl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 210.01717 Da
Monoisotopic Mass: 2.1
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]+	211.02445	137.8
[M+Na]+	233.00639	146.8
[M+NH4]+	228.05099	143.9
[M+K]+	248.98033	142.2
[M-H]-	209.00989	136.0
[M+Na-2H]-	230.99184	142.2
[M]+	210.01662	138.5
[M]-	210.01772	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe