CID 13731033

4,6-dichloro-5-fluoro-2-methylpyrimidine

Structural Information

Molecular Formula
C5H3Cl2FN2
SMILES
CC1=NC(=C(C(=N1)Cl)F)Cl
InChI
InChI=1S/C5H3Cl2FN2/c1-2-9-4(6)3(8)5(7)10-2/h1H3
InChIKey
IWPZWKNMDQSDQP-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-fluoro-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

179.96573 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.97301 125.9
[M+Na]+ 202.95495 138.8
[M-H]- 178.95845 125.6
[M+NH4]+ 197.99955 145.2
[M+K]+ 218.92889 134.0
[M+H-H2O]+ 162.96299 119.9
[M+HCOO]- 224.96393 138.2
[M+CH3COO]- 238.97958 179.5
[M+Na-2H]- 200.94040 132.5
[M]+ 179.96518 128.0
[M]- 179.96628 128.0
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