CID 3014014

1548-61-4

Structural Information

Molecular Formula

C₇H₄F₃NO₃

SMILES

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

InChI

InChI=1S/C7H4F3NO3/c8-7(9,10)5-3-4(11(13)14)1-2-6(5)12/h1-3,12H

InChIKey

GWGZFNRFNIXCGH-UHFFFAOYSA-N

Compound name

4-nitro-2-(trifluoromethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 261
Patents: 207.01433 Da
Monoisotopic Mass: 2.3
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]+	208.02161	134.3
[M+Na]+	230.00355	144.1
[M+NH4]+	225.04815	139.6
[M+K]+	245.97749	142.7
[M-H]-	206.00705	131.9
[M+Na-2H]-	227.98900	138.4
[M]+	207.01378	134.6
[M]-	207.01488	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe