CID 45080172

2-chloro-5-vinylpyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

140.01413 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.021406 122.9
[M+Na]+ 163.003348 133.6
[M-H]- 139.006854 124.0
[M+NH4]+ 158.047953 142.9
[M+K]+ 178.977288 129.8
[M+H-H2O]+ 123.011390 116.9
[M+HCOO]- 185.012331 141.3
[M+CH3COO]- 199.027981 171.8
[M+Na-2H]- 160.988796 131.8
[M]+ 140.01358142 124.2
[M]- 140.01467858 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

No literature data available for this compound.

Patent stripe

patents stripe