CID 69569

4-nitrophenyl trifluoroacetate

Structural Information

Molecular Formula

C₈H₄F₃NO₄

SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(F)(F)F

InChI

InChI=1S/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15/h1-4H

InChIKey

JFOIBTLTZWOAIC-UHFFFAOYSA-N

Compound name

(4-nitrophenyl) 2,2,2-trifluoroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 597
Patents: 235.00925 Da
Monoisotopic Mass: 2.6
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]+	236.01653	140.4
[M+Na]+	257.99847	149.4
[M+NH4]+	253.04307	144.9
[M+K]+	273.97241	148.5
[M-H]-	234.00197	137.4
[M+Na-2H]-	255.98392	144.1
[M]+	235.00870	140.3
[M]-	235.00980	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe