CID 80230658

4-chloro-2-(chloromethyl)-5-fluoro-6-methylpyrimidine

Structural Information

Molecular Formula
C6H5Cl2FN2
SMILES
CC1=C(C(=NC(=N1)CCl)Cl)F
InChI
InChI=1S/C6H5Cl2FN2/c1-3-5(9)6(8)11-4(2-7)10-3/h2H2,1H3
InChIKey
ZEPHOIPKCKTGCO-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)-5-fluoro-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

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Patents

193.98138 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.98866 130.6
[M+Na]+ 216.97060 143.0
[M-H]- 192.97410 130.1
[M+NH4]+ 212.01520 149.3
[M+K]+ 232.94454 138.0
[M+H-H2O]+ 176.97864 124.4
[M+HCOO]- 238.97958 142.5
[M+CH3COO]- 252.99523 182.4
[M+Na-2H]- 214.95605 136.6
[M]+ 193.98083 133.0
[M]- 193.98193 133.0
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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No literature data available for this compound.

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No patent data available for this compound.