CID 21274708

1-(2,4-dichloropyrimidin-5-yl)ethanone

Structural Information

Molecular Formula
C6H4Cl2N2O
SMILES
CC(=O)C1=CN=C(N=C1Cl)Cl
InChI
InChI=1S/C6H4Cl2N2O/c1-3(11)4-2-9-6(8)10-5(4)7/h2H,1H3
InChIKey
LQPFSUBPAKSGQX-UHFFFAOYSA-N
Compound name
1-(2,4-dichloropyrimidin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

189.97006 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.97734 132.6
[M+Na]+ 212.95928 147.9
[M+NH4]+ 208.00388 140.9
[M+K]+ 228.93322 141.1
[M-H]- 188.96278 133.4
[M+Na-2H]- 210.94473 139.9
[M]+ 189.96951 135.6
[M]- 189.97061 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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