CID 58293651

4,6-dichloro-5-methoxy-2-methylpyrimidine

Structural Information

Molecular Formula
C6H6Cl2N2O
SMILES
CC1=NC(=C(C(=N1)Cl)OC)Cl
InChI
InChI=1S/C6H6Cl2N2O/c1-3-9-5(7)4(11-2)6(8)10-3/h1-2H3
InChIKey
QGDCAAAIQWLPLQ-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-methoxy-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

191.98572 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.99300 131.6
[M+Na]+ 214.97494 144.0
[M-H]- 190.97844 132.6
[M+NH4]+ 210.01954 150.5
[M+K]+ 230.94888 139.9
[M+H-H2O]+ 174.98298 126.3
[M+HCOO]- 236.98392 144.8
[M+CH3COO]- 250.99957 181.8
[M+Na-2H]- 212.96039 138.1
[M]+ 191.98517 136.5
[M]- 191.98627 136.5
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