CID 13530704

2-chloro-5-fluoro-4-methoxypyrimidine

Structural Information

Molecular Formula
C5H4ClFN2O
SMILES
COC1=NC(=NC=C1F)Cl
InChI
InChI=1S/C5H4ClFN2O/c1-10-4-3(7)2-8-5(6)9-4/h2H,1H3
InChIKey
HLVJKADQILYNGE-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoro-4-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

161.99962 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.00690 124.1
[M+Na]+ 184.98884 135.9
[M-H]- 160.99234 124.3
[M+NH4]+ 180.03344 143.5
[M+K]+ 200.96278 133.0
[M+H-H2O]+ 144.99688 117.3
[M+HCOO]- 206.99782 141.9
[M+CH3COO]- 221.01347 175.5
[M+Na-2H]- 182.97429 132.2
[M]+ 161.99907 126.5
[M]- 162.00017 126.5
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

patents stripe