CID 130115301

4-chloro-6-iodo-5-methylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H4ClIN2S
SMILES
CC1=C(SC2=C1C(=NC=N2)Cl)I
InChI
InChI=1S/C7H4ClIN2S/c1-3-4-5(8)10-2-11-7(4)12-6(3)9/h2H,1H3
InChIKey
USZQKEUGHQKFAR-UHFFFAOYSA-N
Compound name
4-chloro-6-iodo-5-methylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.88284 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.89012 135.3
[M+Na]+ 332.87206 142.6
[M-H]- 308.87556 132.0
[M+NH4]+ 327.91666 152.3
[M+K]+ 348.84600 143.6
[M+H-H2O]+ 292.88010 126.9
[M+HCOO]- 354.88104 145.8
[M+CH3COO]- 368.89669 146.3
[M+Na-2H]- 330.85751 128.9
[M]+ 309.88229 139.2
[M]- 309.88339 139.2
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

No patent data available for this compound.