CID 130115592

1823952-14-2

Structural Information

Molecular Formula
C7H4Cl2N2
SMILES
C#CCC1=C(N=CN=C1Cl)Cl
InChI
InChI=1S/C7H4Cl2N2/c1-2-3-5-6(8)10-4-11-7(5)9/h1,4H,3H2
InChIKey
CXMCNXGDUTZEJN-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-prop-2-ynylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.97516 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98244 129.4
[M+Na]+ 208.96438 142.5
[M-H]- 184.96788 128.3
[M+NH4]+ 204.00898 145.9
[M+K]+ 224.93832 136.4
[M+H-H2O]+ 168.97242 117.7
[M+HCOO]- 230.97336 137.4
[M+CH3COO]- 244.98901 188.3
[M+Na-2H]- 206.94983 135.2
[M]+ 185.97461 126.4
[M]- 185.97571 126.4
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.