CID 57431457

853297-25-3

Structural Information

Molecular Formula

C₁₀H₁₃F₃N₂

SMILES

CN(C)CC1=C(C=C(C=C1)N)C(F)(F)F

InChI

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

InChIKey

YXLLDVNFADYJEI-UHFFFAOYSA-N

Compound name

4-[(dimethylamino)methyl]-3-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 218.10309 Da
Monoisotopic Mass: 2.0
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	148.6
[M+Na]+	241.09231	156.7
[M+NH4]+	236.13691	154.5
[M+K]+	257.06625	151.9
[M-H]-	217.09581	147.1
[M+Na-2H]-	239.07776	152.8
[M]+	218.10254	149.0
[M]-	218.10364	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe