CID 75176228

4,6-dichloro-5-(difluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H2Cl2F2N2
SMILES
C1=NC(=C(C(=N1)Cl)C(F)F)Cl
InChI
InChI=1S/C5H2Cl2F2N2/c6-3-2(5(8)9)4(7)11-1-10-3/h1,5H
InChIKey
PKVJMACXCLXTKX-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-(difluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.95631 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96359 127.1
[M+Na]+ 220.94553 138.8
[M-H]- 196.94903 125.1
[M+NH4]+ 215.99013 145.2
[M+K]+ 236.91947 134.0
[M+H-H2O]+ 180.95357 120.0
[M+HCOO]- 242.95451 137.4
[M+CH3COO]- 256.97016 181.9
[M+Na-2H]- 218.93098 132.8
[M]+ 197.95576 127.3
[M]- 197.95686 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.