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]+ 248.928676 142.3
[M+Na]+ 270.910618 156.3
[M-H]- 246.914124 144.3
[M+NH4]+ 265.955223 161.7
[M+K]+ 286.884558 150.7
[M+H-H2O]+ 230.918660 138.4
[M+HCOO]- 292.919601 150.3
[M+CH3COO]- 306.935251 155.9
[M+Na-2H]- 268.896066 145.2
[M]+ 247.92085142 149.4
[M]- 247.92194858 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.