CID 46835550

4-chloro-6-iodothieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C6H2ClIN2S
SMILES
C1=C(SC2=C1N=CN=C2Cl)I
InChI
InChI=1S/C6H2ClIN2S/c7-6-5-3(9-2-10-6)1-4(8)11-5/h1-2H
InChIKey
HLXTYHBQAVCTSJ-UHFFFAOYSA-N
Compound name
4-chloro-6-iodothieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

295.8672 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.87448 131.1
[M+Na]+ 318.85642 138.1
[M-H]- 294.85992 127.6
[M+NH4]+ 313.90102 148.4
[M+K]+ 334.83036 139.3
[M+H-H2O]+ 278.86446 122.6
[M+HCOO]- 340.86540 142.0
[M+CH3COO]- 354.88105 142.2
[M+Na-2H]- 316.84187 125.8
[M]+ 295.86665 134.3
[M]- 295.86775 134.3
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