CID 601031

161290-85-3

Structural Information

Molecular Formula

C₉H₇ClF₃NO₂

SMILES

C1=CC(=CC=C1NC(=O)CCl)OC(F)(F)F

InChI

InChI=1S/C9H7ClF3NO2/c10-5-8(15)14-6-1-3-7(4-2-6)16-9(11,12)13/h1-4H,5H2,(H,14,15)

InChIKey

MIWYZHHKNDZBCB-UHFFFAOYSA-N

Compound name

2-chloro-N-[4-(trifluoromethoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 253.01173 Da
Monoisotopic Mass: 3.2
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]+	254.01901	146.3
[M+Na]+	276.00095	155.2
[M-H]-	252.00445	146.2
[M+NH4]+	271.04555	164.0
[M+K]+	291.97489	151.2
[M+H-H2O]+	236.00899	138.8
[M+HCOO]-	298.00993	162.3
[M+CH3COO]-	312.02558	192.3
[M+Na-2H]-	273.98640	151.4
[M]+	253.01118	145.3
[M]-	253.01228	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe