CID 130059410

1-(2-chloro-5-nitrophenyl)ethan-1-ol

Structural Information

Molecular Formula

C₈H₈ClNO₃

SMILES

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

InChI

InChI=1S/C8H8ClNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-5,11H,1H3

InChIKey

UBPVEPRFYAHWHM-UHFFFAOYSA-N

Compound name

1-(2-chloro-5-nitrophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 201.01927 Da
Monoisotopic Mass: 1.9
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]+	202.02655	137.7
[M+Na]+	224.00849	145.9
[M-H]-	200.01199	140.3
[M+NH4]+	219.05309	156.5
[M+K]+	239.98243	138.9
[M+H-H2O]+	184.01653	138.3
[M+HCOO]-	246.01747	157.0
[M+CH3COO]-	260.03312	175.7
[M+Na-2H]-	221.99394	143.6
[M]+	201.01872	137.9
[M]-	201.01982	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe