CID 121683

30377-63-0

Structural Information

Molecular Formula

C₉H₁₁F₃N₂

SMILES

CCNC1=C(C=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C9H11F3N2/c1-2-14-8-4-3-6(5-7(8)13)9(10,11)12/h3-5,14H,2,13H2,1H3

InChIKey

MOQFNDFDNBIIHW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 204.08743 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]+	205.09471	143.6
[M+Na]+	227.07665	151.6
[M+NH4]+	222.12125	149.4
[M+K]+	243.05059	146.6
[M-H]-	203.08015	141.8
[M+Na-2H]-	225.06210	147.9
[M]+	204.08688	143.9
[M]-	204.08798	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe