CID 122457

29705-38-2

Structural Information

Molecular Formula

C₁₀H₁₃FN₂O₄

SMILES

C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])F

InChI

InChI=1S/C10H13FN2O4/c11-9-2-1-8(7-10(9)13(16)17)12(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2

InChIKey

ZZJIOLHDWAXCSE-UHFFFAOYSA-N

Compound name

2-[4-fluoro-N-(2-hydroxyethyl)-3-nitroanilino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 42
Patents: 244.08594 Da
Monoisotopic Mass: 0.6
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]+	245.09322	147.7
[M+Na]+	267.07516	157.7
[M+NH4]+	262.11976	153.6
[M+K]+	283.04910	156.0
[M-H]-	243.07866	148.5
[M+Na-2H]-	265.06061	151.7
[M]+	244.08539	148.9
[M]-	244.08649	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe