CID 62338131

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

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
C#CCOC1=NC(=NC=C1)Cl
InChI
InChI=1S/C7H5ClN2O/c1-2-5-11-6-3-4-9-7(8)10-6/h1,3-4H,5H2
InChIKey
BTYMREZFNZUGET-UHFFFAOYSA-N
Compound name
2-chloro-4-prop-2-ynoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.00903 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.016306 126.8
[M+Na]+ 190.998248 138.6
[M-H]- 167.001754 126.0
[M+NH4]+ 186.042853 143.2
[M+K]+ 206.972188 134.3
[M+H-H2O]+ 151.006290 114.1
[M+HCOO]- 213.007231 139.6
[M+CH3COO]- 227.022881 184.7
[M+Na-2H]- 188.983696 134.0
[M]+ 168.00848142 124.0
[M]- 168.00957858 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

No patent data available for this compound.