CID 2763927

325685-59-4

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O

SMILES

COCC1=CC(=NC(=N1)C2=CC=CC=C2)Cl

InChI

InChI=1S/C12H11ClN2O/c1-16-8-10-7-11(13)15-12(14-10)9-5-3-2-4-6-9/h2-7H,8H2,1H3

InChIKey

GSSSCZAOXFZADM-UHFFFAOYSA-N

Compound name

4-chloro-6-(methoxymethyl)-2-phenylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 234.05598 Da
Monoisotopic Mass: 2.5
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]+	235.063256	148.6
[M+Na]+	257.045198	158.6
[M-H]-	233.048704	152.6
[M+NH4]+	252.089803	164.6
[M+K]+	273.019138	153.6
[M+H-H2O]+	217.053240	140.3
[M+HCOO]-	279.054181	166.4
[M+CH3COO]-	293.069831	189.4
[M+Na-2H]-	255.030646	155.9
[M]+	234.05543142	152.1
[M]-	234.05652858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe