CID 22017356

290297-43-7

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: 164
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]+	272.08684	170.5
[M+Na]+	294.06878	175.0
[M+NH4]+	289.11338	172.8
[M+K]+	310.04272	170.9
[M-H]-	270.07228	164.4
[M+Na-2H]-	292.05423	171.0
[M]+	271.07901	169.1
[M]-	271.08011	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe