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]+ 179.01821 127.7
[M+Na]+ 201.00015 138.9
[M-H]- 177.00365 126.4
[M+NH4]+ 196.04475 146.4
[M+K]+ 216.97409 135.2
[M+H-H2O]+ 161.00819 120.0
[M+HCOO]- 223.00913 142.9
[M+CH3COO]- 237.02478 180.1
[M+Na-2H]- 198.98560 133.6
[M]+ 178.01038 127.3
[M]- 178.01148 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.