CID 14990696

1-(4-chloro-3-nitrophenyl)ethan-1-ol

Structural Information

Molecular Formula

C₈H₈ClNO₃

SMILES

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

InChI

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

InChIKey

DPECJWNICWLDNB-UHFFFAOYSA-N

Compound name

1-(4-chloro-3-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	136.6
[M+Na]+	224.00849	150.6
[M+NH4]+	219.05309	145.1
[M+K]+	239.98243	147.4
[M-H]-	200.01199	139.4
[M+Na-2H]-	221.99394	142.8
[M]+	201.01872	139.6
[M]-	201.01982	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe