CID 708736

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

Structural Information

Molecular Formula
C12H7ClN2S
SMILES
C1=CC=C(C=C1)C2=CC3=C(S2)N=CN=C3Cl
InChI
InChI=1S/C12H7ClN2S/c13-11-9-6-10(8-4-2-1-3-5-8)16-12(9)15-7-14-11/h1-7H
InChIKey
WJFATWIQZZNARY-UHFFFAOYSA-N
Compound name
4-chloro-6-phenylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

246.00185 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00913 148.7
[M+Na]+ 268.99107 162.2
[M-H]- 244.99457 155.0
[M+NH4]+ 264.03567 168.2
[M+K]+ 284.96501 155.6
[M+H-H2O]+ 228.99911 142.0
[M+HCOO]- 291.00005 163.7
[M+CH3COO]- 305.01570 162.7
[M+Na-2H]- 266.97652 153.9
[M]+ 246.00130 154.4
[M]- 246.00240 154.4
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

patents stripe