CID 13630770

5-chloro-2,4-difluoro-6-methoxypyrimidine

Structural Information

Molecular Formula
C5H3ClF2N2O
SMILES
COC1=C(C(=NC(=N1)F)F)Cl
InChI
InChI=1S/C5H3ClF2N2O/c1-11-4-2(6)3(7)9-5(8)10-4/h1H3
InChIKey
ZTHGWCOMBBTXLB-UHFFFAOYSA-N
Compound name
5-chloro-2,4-difluoro-6-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.9902 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.99748 126.0
[M+Na]+ 202.97942 138.7
[M-H]- 178.98292 125.2
[M+NH4]+ 198.02402 144.9
[M+K]+ 218.95336 135.3
[M+H-H2O]+ 162.98746 118.5
[M+HCOO]- 224.98840 142.7
[M+CH3COO]- 239.00405 179.4
[M+Na-2H]- 200.96487 132.8
[M]+ 179.98965 127.6
[M]- 179.99075 127.6
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

No patent data available for this compound.