CID 100731835

5-chloro-4-[(1-methyl-1h-pyrazol-4-yl)oxy]pyrimidine

Structural Information

Molecular Formula
C8H7ClN4O
SMILES
CN1C=C(C=N1)OC2=NC=NC=C2Cl
InChI
InChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3
InChIKey
JGBBXYYBQPDVEM-UHFFFAOYSA-N
Compound name
5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.03084 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.038116 140.7
[M+Na]+ 233.020058 152.3
[M-H]- 209.023564 142.5
[M+NH4]+ 228.064663 156.7
[M+K]+ 248.993998 148.2
[M+H-H2O]+ 193.028100 131.4
[M+HCOO]- 255.029041 157.7
[M+CH3COO]- 269.044691 153.8
[M+Na-2H]- 231.005506 147.1
[M]+ 210.03029142 144.2
[M]- 210.03138858 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.