CID 118012108

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

Structural Information

Molecular Formula
C7H3BrCl2N2S
SMILES
CC1=C(C2=C(S1)C(=NC(=N2)Cl)Cl)Br
InChI
InChI=1S/C7H3BrCl2N2S/c1-2-3(8)4-5(13-2)6(9)12-7(10)11-4/h1H3
InChIKey
OYVZBRIHXCRDQL-UHFFFAOYSA-N
Compound name
7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

295.85773 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.86501 138.3
[M+Na]+ 318.84695 157.7
[M-H]- 294.85045 144.6
[M+NH4]+ 313.89155 161.1
[M+K]+ 334.82089 143.5
[M+H-H2O]+ 278.85499 140.6
[M+HCOO]- 340.85593 146.8
[M+CH3COO]- 354.87158 155.1
[M+Na-2H]- 316.83240 144.0
[M]+ 295.85718 164.0
[M]- 295.85828 164.0
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