CID 71756057

4,5-dichloro-2-methoxypyrimidine

Structural Information

Molecular Formula
C5H4Cl2N2O
SMILES
COC1=NC=C(C(=N1)Cl)Cl
InChI
InChI=1S/C5H4Cl2N2O/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3
InChIKey
WUKCAHZEASJRLD-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
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

No literature data available for this compound.

Patent stripe

patents stripe