CID 15690

2,4,5,6-tetrachloropyrimidine

Structural Information

Molecular Formula
C4Cl4N2
SMILES
C1(=C(N=C(N=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C4Cl4N2/c5-1-2(6)9-4(8)10-3(1)7
InChIKey
GVBHCMNXRKOJRH-UHFFFAOYSA-N
Compound name
2,4,5,6-tetrachloropyrimidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1547
Patents

215.88156 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.88884 133.0
[M+Na]+ 238.87078 144.8
[M-H]- 214.87428 130.9
[M+NH4]+ 233.91538 149.8
[M+K]+ 254.84472 139.9
[M+H-H2O]+ 198.87882 128.5
[M+HCOO]- 260.87976 135.0
[M+CH3COO]- 274.89541 144.6
[M+Na-2H]- 236.85623 137.6
[M]+ 215.88101 134.1
[M]- 215.88211 134.1
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