CID 231331

2,4-dichloro-5h,6h,7h-cyclopenta[d]pyrimidine

Structural Information

Molecular Formula
C7H6Cl2N2
SMILES
C1CC2=C(C1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C7H6Cl2N2/c8-6-4-2-1-3-5(4)10-7(9)11-6/h1-3H2
InChIKey
GDHHAOFBLGZCMI-UHFFFAOYSA-N
Compound name
2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

187.9908 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.998076 135.0
[M+Na]+ 210.980018 146.5
[M-H]- 186.983524 136.1
[M+NH4]+ 206.024623 156.3
[M+K]+ 226.953958 141.4
[M+H-H2O]+ 170.988060 129.1
[M+HCOO]- 232.989001 146.7
[M+CH3COO]- 247.004651 148.4
[M+Na-2H]- 208.965466 140.7
[M]+ 187.99025142 136.6
[M]- 187.99134858 136.6
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