CID 601401

2,4-dichloro-5-methoxypyrimidine

Structural Information

Molecular Formula
C5H4Cl2N2O
SMILES
COC1=CN=C(N=C1Cl)Cl
InChI
InChI=1S/C5H4Cl2N2O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3
InChIKey
ZTHHRSBDBPCCMZ-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1345
Patents

177.97006 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97734 127.2
[M+Na]+ 200.95928 139.1
[M-H]- 176.96278 128.0
[M+NH4]+ 196.00388 146.3
[M+K]+ 216.93322 135.3
[M+H-H2O]+ 160.96732 121.8
[M+HCOO]- 222.96826 140.7
[M+CH3COO]- 236.98391 177.7
[M+Na-2H]- 198.94473 135.0
[M]+ 177.96951 131.4
[M]- 177.97061 131.4
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

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