CID 622010

4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C12H6ClFN2S
SMILES
C1=CC(=CC=C1C2=CC3=C(S2)C(=NC=N3)Cl)F
InChI
InChI=1S/C12H6ClFN2S/c13-12-11-9(15-6-16-12)5-10(17-11)7-1-3-8(14)4-2-7/h1-6H
InChIKey
LSSSOQOZLIFXNV-UHFFFAOYSA-N
Compound name
4-chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

263.99243 Da
Monoisotopic Mass

4.0
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

No literature data available for this compound.

Patent stripe

patents stripe