CID 61278755

4-chloro-6-[(2-chlorophenyl)methoxy]pyrimidine

Structural Information

Molecular Formula
C11H8Cl2N2O
SMILES
C1=CC=C(C(=C1)COC2=CC(=NC=N2)Cl)Cl
InChI
InChI=1S/C11H8Cl2N2O/c12-9-4-2-1-3-8(9)6-16-11-5-10(13)14-7-15-11/h1-5,7H,6H2
InChIKey
GCZBLCXPJFWYNL-UHFFFAOYSA-N
Compound name
4-chloro-6-[(2-chlorophenyl)methoxy]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00137 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.008646 149.0
[M+Na]+ 276.990588 159.7
[M-H]- 252.994094 152.3
[M+NH4]+ 272.035193 164.6
[M+K]+ 292.964528 153.8
[M+H-H2O]+ 236.998630 141.2
[M+HCOO]- 298.999571 161.9
[M+CH3COO]- 313.015221 161.4
[M+Na-2H]- 274.976036 156.0
[M]+ 254.00082142 153.2
[M]- 254.00191858 153.2
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.