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]+ 231.96508 137.1
[M+Na]+ 253.94702 149.6
[M-H]- 229.95052 134.0
[M+NH4]+ 248.99162 153.8
[M+K]+ 269.92096 143.8
[M+H-H2O]+ 213.95506 129.4
[M+HCOO]- 275.95600 146.2
[M+CH3COO]- 289.97165 188.7
[M+Na-2H]- 251.93247 142.2
[M]+ 230.95725 134.7
[M]- 230.95835 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.