CID 131531025

2,4-dichlorothieno[3,2-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C7H2Cl2N2O2S
SMILES
C1=C(SC2=C1N=C(N=C2Cl)Cl)C(=O)O
InChI
InChI=1S/C7H2Cl2N2O2S/c8-5-4-2(10-7(9)11-5)1-3(14-4)6(12)13/h1H,(H,12,13)
InChIKey
QIKFVOUFAKBLRZ-UHFFFAOYSA-N
Compound name
2,4-dichlorothieno[3,2-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.9214 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.92868 142.3
[M+Na]+ 270.91062 156.3
[M-H]- 246.91412 144.3
[M+NH4]+ 265.95522 161.7
[M+K]+ 286.88456 150.7
[M+H-H2O]+ 230.91866 138.4
[M+HCOO]- 292.91960 150.3
[M+CH3COO]- 306.93525 155.9
[M+Na-2H]- 268.89607 145.2
[M]+ 247.92085 149.4
[M]- 247.92195 149.4
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.