CID 59634522

2,4-dichloro-6,7-dihydro-5h-pyrano[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H6Cl2N2O
SMILES
C1CC2=C(N=C(N=C2Cl)Cl)OC1
InChI
InChI=1S/C7H6Cl2N2O/c8-5-4-2-1-3-12-6(4)11-7(9)10-5/h1-3H2
InChIKey
BJAIZZLNCFQTSX-UHFFFAOYSA-N
Compound name
2,4-dichloro-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

203.98572 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99300 136.1
[M+Na]+ 226.97494 146.5
[M-H]- 202.97844 137.5
[M+NH4]+ 222.01954 153.6
[M+K]+ 242.94888 143.1
[M+H-H2O]+ 186.98298 129.8
[M+HCOO]- 248.98392 145.0
[M+CH3COO]- 262.99957 148.7
[M+Na-2H]- 224.96039 144.4
[M]+ 203.98517 137.7
[M]- 203.98627 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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