CID 243101

2925-96-4

Structural Information

Molecular Formula
C5H2Cl2F3N3
SMILES
C1(=C(N=C(N=C1Cl)Cl)C(F)(F)F)N
InChI
InChI=1S/C5H2Cl2F3N3/c6-3-1(11)2(5(8,9)10)12-4(7)13-3/h11H2
InChIKey
ADJRDPPTOGKOHU-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(trifluoromethyl)pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.9578 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.965076 137.1
[M+Na]+ 253.947018 149.6
[M-H]- 229.950524 134.0
[M+NH4]+ 248.991623 153.8
[M+K]+ 269.920958 143.8
[M+H-H2O]+ 213.955060 129.4
[M+HCOO]- 275.956001 146.2
[M+CH3COO]- 289.971651 188.7
[M+Na-2H]- 251.932466 142.2
[M]+ 230.95725142 134.7
[M]- 230.95834858 134.7
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.