CID 53440046

4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine

Structural Information

Molecular Formula
C11H5Cl2F3N2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C11H5Cl2F3N2/c12-8-5-9(13)18-10(17-8)6-2-1-3-7(4-6)11(14,15)16/h1-5H
InChIKey
VTHOZCSKDRAOGU-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.97818 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.98546 153.7
[M+Na]+ 314.96740 166.1
[M-H]- 290.97090 153.7
[M+NH4]+ 310.01200 168.1
[M+K]+ 330.94134 158.6
[M+H-H2O]+ 274.97544 143.8
[M+HCOO]- 336.97638 161.7
[M+CH3COO]- 350.99203 197.9
[M+Na-2H]- 312.95285 158.9
[M]+ 291.97763 153.3
[M]- 291.97873 153.3
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.