CID 165845820

7-bromo-2,4-dichlorothieno[3,4-d]pyrimidine

Structural Information

Molecular Formula
C6HBrCl2N2S
SMILES
C1=C2C(=C(S1)Br)N=C(N=C2Cl)Cl
InChI
InChI=1S/C6HBrCl2N2S/c7-4-3-2(1-12-4)5(8)11-6(9)10-3/h1H
InChIKey
CQJLUWWVSARCFS-UHFFFAOYSA-N
Compound name
7-bromo-2,4-dichlorothieno[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.8421 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.849376 133.8
[M+Na]+ 304.831318 152.9
[M-H]- 280.834824 140.0
[M+NH4]+ 299.875923 156.9
[M+K]+ 320.805258 139.0
[M+H-H2O]+ 264.839360 136.2
[M+HCOO]- 326.840301 142.7
[M+CH3COO]- 340.855951 150.7
[M+Na-2H]- 302.816766 140.7
[M]+ 281.84155142 158.9
[M]- 281.84264858 158.9
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.