CID 86668900

4-chloro-5-methoxypyrimidine-2-carbonitrile

Structural Information

Molecular Formula
C6H4ClN3O
SMILES
COC1=CN=C(N=C1Cl)C#N
InChI
InChI=1S/C6H4ClN3O/c1-11-4-3-9-5(2-8)10-6(4)7/h3H,1H3
InChIKey
QGMOZRRRBAVUCO-UHFFFAOYSA-N
Compound name
4-chloro-5-methoxypyrimidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

169.00429 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.011566 126.7
[M+Na]+ 191.993508 139.1
[M-H]- 167.997014 127.4
[M+NH4]+ 187.038113 143.6
[M+K]+ 207.967448 136.0
[M+H-H2O]+ 152.001550 113.8
[M+HCOO]- 214.002491 141.9
[M+CH3COO]- 228.018141 189.7
[M+Na-2H]- 189.978956 134.3
[M]+ 169.00374142 124.8
[M]- 169.00483858 124.8
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