CID 12137598

4-chloro-6-(prop-2-yn-1-yloxy)pyrimidine

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
C#CCOC1=CC(=NC=N1)Cl
InChI
InChI=1S/C7H5ClN2O/c1-2-3-11-7-4-6(8)9-5-10-7/h1,4-5H,3H2
InChIKey
SYDGNXYENGLEQZ-UHFFFAOYSA-N
Compound name
4-chloro-6-prop-2-ynoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

168.00903 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01631 126.8
[M+Na]+ 190.99825 138.6
[M-H]- 167.00175 126.0
[M+NH4]+ 186.04285 143.2
[M+K]+ 206.97219 134.3
[M+H-H2O]+ 151.00629 114.1
[M+HCOO]- 213.00723 139.6
[M+CH3COO]- 227.02288 184.7
[M+Na-2H]- 188.98370 134.0
[M]+ 168.00848 124.0
[M]- 168.00958 124.0
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

patents stripe