CID 20094142

4-chloro-2-(chloromethyl)thieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C7H4Cl2N2S
SMILES
C1=CSC2=C1N=C(N=C2Cl)CCl
InChI
InChI=1S/C7H4Cl2N2S/c8-3-5-10-4-1-2-12-6(4)7(9)11-5/h1-2H,3H2
InChIKey
LZDCMEOZULXJHX-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)thieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.94722 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.954496 137.6
[M+Na]+ 240.936438 151.6
[M-H]- 216.939944 140.2
[M+NH4]+ 235.981043 158.9
[M+K]+ 256.910378 145.9
[M+H-H2O]+ 200.944480 132.8
[M+HCOO]- 262.945421 147.3
[M+CH3COO]- 276.961071 151.8
[M+Na-2H]- 238.921886 142.1
[M]+ 217.94667142 144.4
[M]- 217.94776858 144.4
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