CID 79952864

4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine

Structural Information

Molecular Formula
C7H5Cl2F3N2
SMILES
C1=C(N=C(N=C1Cl)CCC(F)(F)F)Cl
InChI
InChI=1S/C7H5Cl2F3N2/c8-4-3-5(9)14-6(13-4)1-2-7(10,11)12/h3H,1-2H2
InChIKey
SNGJBMAMEMEBDC-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(3,3,3-trifluoropropyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.9782 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98548 140.5
[M+Na]+ 266.96742 152.1
[M-H]- 242.97092 137.1
[M+NH4]+ 262.01202 156.9
[M+K]+ 282.94136 146.3
[M+H-H2O]+ 226.97546 132.2
[M+HCOO]- 288.97640 148.4
[M+CH3COO]- 302.99205 189.4
[M+Na-2H]- 264.95287 146.1
[M]+ 243.97765 140.1
[M]- 243.97875 140.1
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.