CID 4773592

4-(2,4-dichlorophenyl)-2-pyrimidinamine

Structural Information

Molecular Formula
C10H7Cl2N3
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2)N
InChI
InChI=1S/C10H7Cl2N3/c11-6-1-2-7(8(12)5-6)9-3-4-14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKey
IIQPBSILLIMQBY-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.00171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.008986 147.5
[M+Na]+ 261.990928 158.8
[M-H]- 237.994434 150.7
[M+NH4]+ 257.035533 163.5
[M+K]+ 277.964868 152.1
[M+H-H2O]+ 221.998970 140.2
[M+HCOO]- 283.999911 161.0
[M+CH3COO]- 298.015561 159.9
[M+Na-2H]- 259.976376 153.6
[M]+ 239.00116142 148.8
[M]- 239.00225858 148.8
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

patents stripe