CID 97007

Tetrachloropyrimido(5,4-d)pyrimidine

Structural Information

Molecular Formula
C6Cl4N4
SMILES
C12=C(C(=NC(=N1)Cl)Cl)N=C(N=C2Cl)Cl
InChI
InChI=1S/C6Cl4N4/c7-3-1-2(12-6(10)13-3)4(8)14-5(9)11-1
InChIKey
QNKFHUMDHRWWES-UHFFFAOYSA-N
Compound name
2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

110
Patents

267.8877 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.89498 144.5
[M+Na]+ 290.87692 157.4
[M-H]- 266.88042 140.4
[M+NH4]+ 285.92152 157.7
[M+K]+ 306.85086 151.9
[M+H-H2O]+ 250.88496 137.0
[M+HCOO]- 312.88590 142.9
[M+CH3COO]- 326.90155 154.6
[M+Na-2H]- 288.86237 150.1
[M]+ 267.88715 146.4
[M]- 267.88825 146.4
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