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: 88
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	145.0
[M+Na]+	241.09231	153.0
[M-H]-	217.09581	146.1
[M+NH4]+	236.13691	163.8
[M+K]+	257.06625	150.9
[M+H-H2O]+	201.10035	136.4
[M+HCOO]-	263.10129	166.3
[M+CH3COO]-	277.11694	197.2
[M+Na-2H]-	239.07776	148.8
[M]+	218.10254	140.6
[M]-	218.10364	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe