CID 11031133

2,6-dichloropyrimidine-4-carbonyl chloride

Structural Information

Molecular Formula
C5HCl3N2O
SMILES
C1=C(N=C(N=C1Cl)Cl)C(=O)Cl
InChI
InChI=1S/C5HCl3N2O/c6-3-1-2(4(7)11)9-5(8)10-3/h1H
InChIKey
NUYJCMGJLNVOML-UHFFFAOYSA-N
Compound name
2,6-dichloropyrimidine-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
Patents

209.91545 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.92273 131.1
[M+Na]+ 232.90467 142.6
[M-H]- 208.90817 130.8
[M+NH4]+ 227.94927 148.6
[M+K]+ 248.87861 137.9
[M+H-H2O]+ 192.91271 126.3
[M+HCOO]- 254.91365 138.3
[M+CH3COO]- 268.92930 183.3
[M+Na-2H]- 230.89012 136.6
[M]+ 209.91490 133.9
[M]- 209.91600 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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