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]+ 310.890116 135.3
[M+Na]+ 332.872058 142.6
[M-H]- 308.875564 132.0
[M+NH4]+ 327.916663 152.3
[M+K]+ 348.845998 143.6
[M+H-H2O]+ 292.880100 126.9
[M+HCOO]- 354.881041 145.8
[M+CH3COO]- 368.896691 146.3
[M+Na-2H]- 330.857506 128.9
[M]+ 309.88229142 139.2
[M]- 309.88338858 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.