CID 22017356

3,5-bis(trifluoromethyl)-alpha,n-dimethylbenzylamine

Structural Information

Molecular Formula

C₁₁H₁₁F₆N

SMILES

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC

InChI

InChI=1S/C11H11F6N/c1-6(18-2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h3-6,18H,1-2H3

InChIKey

ZHIAARPZLAPMHX-UHFFFAOYSA-N

Compound name

1-[3,5-bis(trifluoromethyl)phenyl]-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 271.07956 Da
Monoisotopic Mass: 3.5
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]+	272.086836	153.7
[M+Na]+	294.068778	162.3
[M-H]-	270.072284	150.0
[M+NH4]+	289.113383	170.0
[M+K]+	310.042718	158.7
[M+H-H2O]+	254.076820	143.3
[M+HCOO]-	316.077761	167.9
[M+CH3COO]-	330.093411	201.8
[M+Na-2H]-	292.054226	156.2
[M]+	271.07901142	144.9
[M]-	271.08010858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe