CID 723600

16143-84-3

Structural Information

Molecular Formula

C₁₀H₇F₆NO

SMILES

CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C10H7F6NO/c1-5(18)17-8-3-6(9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,1H3,(H,17,18)

InChIKey

XMKZELXFBZUGEY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 98
Patents: 271.04318 Da
Monoisotopic Mass: 3.7
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]+	272.05046	169.2
[M+Na]+	294.03240	173.5
[M+NH4]+	289.07700	170.9
[M+K]+	310.00634	169.8
[M-H]-	270.03590	162.5
[M+Na-2H]-	292.01785	169.4
[M]+	271.04263	167.5
[M]-	271.04373	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe