CID 118113418

1554387-36-8

Structural Information

Molecular Formula

C₇H₇ClN₂O₂

SMILES

C1COC(O1)C2=CN=C(N=C2)Cl

InChI

InChI=1S/C7H7ClN2O2/c8-7-9-3-5(4-10-7)6-11-1-2-12-6/h3-4,6H,1-2H2

InChIKey

KMDYWQRBLQTNDO-UHFFFAOYSA-N

Compound name

2-chloro-5-(1,3-dioxolan-2-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 186.0196 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]+	187.02688	134.2
[M+Na]+	209.00882	148.3
[M+NH4]+	204.05342	142.8
[M+K]+	224.98276	144.4
[M-H]-	185.01232	139.2
[M+Na-2H]-	206.99427	141.1
[M]+	186.01905	137.9
[M]-	186.02015	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe