CID 45789967

2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C6H4Cl2N2S
SMILES
C1CSC2=C1N=C(N=C2Cl)Cl
InChI
InChI=1S/C6H4Cl2N2S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H2
InChIKey
CUVQFHMQHBMFCI-UHFFFAOYSA-N
Compound name
2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

205.94722 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.95450 136.1
[M+Na]+ 228.93644 148.4
[M-H]- 204.93994 138.2
[M+NH4]+ 223.98104 157.6
[M+K]+ 244.91038 143.5
[M+H-H2O]+ 188.94448 131.4
[M+HCOO]- 250.94542 143.4
[M+CH3COO]- 264.96107 149.6
[M+Na-2H]- 226.92189 139.2
[M]+ 205.94667 139.7
[M]- 205.94777 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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