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]+ 211.03812 140.7
[M+Na]+ 233.02006 152.3
[M-H]- 209.02356 142.5
[M+NH4]+ 228.06466 156.7
[M+K]+ 248.99400 148.2
[M+H-H2O]+ 193.02810 131.4
[M+HCOO]- 255.02904 157.7
[M+CH3COO]- 269.04469 153.8
[M+Na-2H]- 231.00551 147.1
[M]+ 210.03029 144.2
[M]- 210.03139 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.