CID 45080173

2-chloro-4-ethenylpyrimidine

Structural Information

Molecular Formula
C6H5ClN2
SMILES
C=CC1=NC(=NC=C1)Cl
InChI
InChI=1S/C6H5ClN2/c1-2-5-3-4-8-6(7)9-5/h2-4H,1H2
InChIKey
DYNFGCFGPTZBMR-UHFFFAOYSA-N
Compound name
2-chloro-4-ethenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

140.01413 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02141 122.9
[M+Na]+ 163.00335 133.6
[M-H]- 139.00685 124.0
[M+NH4]+ 158.04795 142.9
[M+K]+ 178.97729 129.8
[M+H-H2O]+ 123.01139 116.9
[M+HCOO]- 185.01233 141.3
[M+CH3COO]- 199.02798 171.8
[M+Na-2H]- 160.98880 131.8
[M]+ 140.01358 124.2
[M]- 140.01468 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe