CID 135526781

885460-70-8

Structural Information

Molecular Formula
C13H8ClFN2OS
SMILES
C1=CC(=CC=C1C2=CC3=C(S2)C(=O)NC(=N3)CCl)F
InChI
InChI=1S/C13H8ClFN2OS/c14-6-11-16-9-5-10(19-12(9)13(18)17-11)7-1-3-8(15)4-2-7/h1-5H,6H2,(H,16,17,18)
InChIKey
POQSONIXXQIFSS-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-(4-fluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

294.003 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.01028 158.6
[M+Na]+ 316.99222 172.9
[M-H]- 292.99572 162.8
[M+NH4]+ 312.03682 175.9
[M+K]+ 332.96616 164.7
[M+H-H2O]+ 277.00026 151.5
[M+HCOO]- 339.00120 171.1
[M+CH3COO]- 353.01685 171.5
[M+Na-2H]- 314.97767 161.2
[M]+ 294.00245 163.5
[M]- 294.00355 163.5
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

No patent data available for this compound.