CID 3046722

2-chloro-2-nitroethanol

Structural Information

Molecular Formula

C₂H₄ClNO₃

SMILES

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

InChI

InChI=1S/C2H4ClNO3/c3-2(1-5)4(6)7/h2,5H,1H2

InChIKey

HXHLTSSXMWHLGK-UHFFFAOYSA-N

Compound name

2-chloro-2-nitroethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 124.98797 Da
Monoisotopic Mass: 0.1
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]+	125.99525	118.3
[M+Na]+	147.97719	126.2
[M-H]-	123.98069	117.6
[M+NH4]+	143.02179	139.8
[M+K]+	163.95113	121.2
[M+H-H2O]+	107.98523	120.4
[M+HCOO]-	169.98617	138.0
[M+CH3COO]-	184.00182	160.0
[M+Na-2H]-	145.96264	125.9
[M]+	124.98742	117.8
[M]-	124.98852	117.8

Literature stripe

literature stripe

Patent stripe

patents stripe