CID 12225262

4-chloro-6-nitrothieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C6H2ClN3O2S
SMILES
C1=C(SC2=C1C(=NC=N2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H2ClN3O2S/c7-5-3-1-4(10(11)12)13-6(3)9-2-8-5/h1-2H
InChIKey
XULYQYBOEGZFKK-UHFFFAOYSA-N
Compound name
4-chloro-6-nitrothieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

214.95563 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.962906 136.4
[M+Na]+ 237.944848 148.2
[M-H]- 213.948354 139.7
[M+NH4]+ 232.989453 156.1
[M+K]+ 253.918788 140.2
[M+H-H2O]+ 197.952890 135.5
[M+HCOO]- 259.953831 152.6
[M+CH3COO]- 273.969481 176.2
[M+Na-2H]- 235.930296 144.1
[M]+ 214.95508142 140.2
[M]- 214.95617858 140.2
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