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]+ 240.00899 147.5
[M+Na]+ 261.99093 158.8
[M-H]- 237.99443 150.7
[M+NH4]+ 257.03553 163.5
[M+K]+ 277.96487 152.1
[M+H-H2O]+ 221.99897 140.2
[M+HCOO]- 283.99991 161.0
[M+CH3COO]- 298.01556 159.9
[M+Na-2H]- 259.97638 153.6
[M]+ 239.00116 148.8
[M]- 239.00226 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