CID 2799157

10442-83-8

Structural Information

Molecular Formula

C₉H₉F₃N₂O₃

SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCO

InChI

InChI=1S/C9H9F3N2O3/c10-9(11,12)6-1-2-7(13-3-4-15)8(5-6)14(16)17/h1-2,5,13,15H,3-4H2

InChIKey

NJZCRXQWPNNJNB-UHFFFAOYSA-N

Compound name

2-[2-nitro-4-(trifluoromethyl)anilino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3040
Patents: 250.05653 Da
Monoisotopic Mass: 2.0
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]+	251.06381	143.6
[M+Na]+	273.04575	151.8
[M+NH4]+	268.09035	148.1
[M+K]+	289.01969	150.6
[M-H]-	249.04925	141.3
[M+Na-2H]-	271.03120	147.1
[M]+	250.05598	143.5
[M]-	250.05708	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe