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

74
Patents

140.01413 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe