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

374
Patents

187.9908 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99808 135.0
[M+Na]+ 210.98002 146.5
[M-H]- 186.98352 136.1
[M+NH4]+ 206.02462 156.3
[M+K]+ 226.95396 141.4
[M+H-H2O]+ 170.98806 129.1
[M+HCOO]- 232.98900 146.7
[M+CH3COO]- 247.00465 148.4
[M+Na-2H]- 208.96547 140.7
[M]+ 187.99025 136.6
[M]- 187.99135 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