CID 146082559

4-chloro-2-(difluoromethyl)-6-methylpyrimidine

Structural Information

Molecular Formula
C6H5ClF2N2
SMILES
CC1=CC(=NC(=N1)C(F)F)Cl
InChI
InChI=1S/C6H5ClF2N2/c1-3-2-4(7)11-6(10-3)5(8)9/h2,5H,1H3
InChIKey
FAOHFLKTRKGDDO-UHFFFAOYSA-N
Compound name
4-chloro-2-(difluoromethyl)-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.01093 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.018206 127.7
[M+Na]+ 201.000148 138.9
[M-H]- 177.003654 126.4
[M+NH4]+ 196.044753 146.4
[M+K]+ 216.974088 135.2
[M+H-H2O]+ 161.008190 120.0
[M+HCOO]- 223.009131 142.9
[M+CH3COO]- 237.024781 180.1
[M+Na-2H]- 198.985596 133.6
[M]+ 178.01038142 127.3
[M]- 178.01147858 127.3
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

No patent data available for this compound.