CID 57434136

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

Structural Information

Molecular Formula
C7H3ClN2O2S
SMILES
C1=C(SC2=C1C(=NC=N2)Cl)C(=O)O
InChI
InChI=1S/C7H3ClN2O2S/c8-5-3-1-4(7(11)12)13-6(3)10-2-9-5/h1-2H,(H,11,12)
InChIKey
ZWZIELMLHCTSQY-UHFFFAOYSA-N
Compound name
4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

213.96037 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.96765 137.2
[M+Na]+ 236.94959 150.3
[M-H]- 212.95309 139.5
[M+NH4]+ 231.99419 157.4
[M+K]+ 252.92353 145.7
[M+H-H2O]+ 196.95763 132.4
[M+HCOO]- 258.95857 150.4
[M+CH3COO]- 272.97422 151.3
[M+Na-2H]- 234.93504 141.5
[M]+ 213.95982 143.2
[M]- 213.96092 143.2
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

patents stripe