CID 86672158

1221119-68-1

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C8H8FNO3/c9-8-5-7(10(12)13)2-1-6(8)3-4-11/h1-2,5,11H,3-4H2

InChIKey

MVVPCXHRMBDTBV-UHFFFAOYSA-N

Compound name

2-(2-fluoro-4-nitrophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 185.04883 Da
Monoisotopic Mass: 1.4
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]+	186.05611	133.8
[M+Na]+	208.03805	141.9
[M-H]-	184.04155	135.3
[M+NH4]+	203.08265	152.4
[M+K]+	224.01199	135.6
[M+H-H2O]+	168.04609	132.2
[M+HCOO]-	230.04703	157.6
[M+CH3COO]-	244.06268	173.8
[M+Na-2H]-	206.02350	140.9
[M]+	185.04828	131.5
[M]-	185.04938	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe