CID 2782911

4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C12H6ClFN2S
SMILES
C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)Cl)F
InChI
InChI=1S/C12H6ClFN2S/c13-11-10-9(5-17-12(10)16-6-15-11)7-1-3-8(14)4-2-7/h1-6H
InChIKey
CPLNBRLGQDLEKP-UHFFFAOYSA-N
Compound name
4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

41
Patents

263.99243 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99971 150.7
[M+Na]+ 286.98165 165.1
[M-H]- 262.98515 156.0
[M+NH4]+ 282.02625 169.7
[M+K]+ 302.95559 157.9
[M+H-H2O]+ 246.98969 143.2
[M+HCOO]- 308.99063 164.7
[M+CH3COO]- 323.00628 164.5
[M+Na-2H]- 284.96710 154.7
[M]+ 263.99188 155.9
[M]- 263.99298 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe