CID 17605588

54672-12-7

Structural Information

Molecular Formula

C₉H₁₁F₃N₂

SMILES

CN(C)C1=C(C=C(C=C1)N)C(F)(F)F

InChI

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

InChIKey

ZQEWNTUETRXSRX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 204.08743 Da
Monoisotopic Mass: 2.2
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	144.4
[M+Na]+	227.07665	152.7
[M+NH4]+	222.12125	150.4
[M+K]+	243.05059	148.0
[M-H]-	203.08015	142.9
[M+Na-2H]-	225.06210	148.9
[M]+	204.08688	144.9
[M]-	204.08798	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe