CID 3050488

2-pyrimidinamine, n-(2,6-dichlorophenyl)-

Structural Information

Molecular Formula
C10H7Cl2N3
SMILES
C1=CC(=C(C(=C1)Cl)NC2=NC=CC=N2)Cl
InChI
InChI=1S/C10H7Cl2N3/c11-7-3-1-4-8(12)9(7)15-10-13-5-2-6-14-10/h1-6H,(H,13,14,15)
InChIKey
RQHCTLPUMQYABP-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.00171 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00899 146.6
[M+Na]+ 261.99093 156.9
[M-H]- 237.99443 149.9
[M+NH4]+ 257.03553 162.5
[M+K]+ 277.96487 150.5
[M+H-H2O]+ 221.99897 138.9
[M+HCOO]- 283.99991 160.6
[M+CH3COO]- 298.01556 158.9
[M+Na-2H]- 259.97638 154.5
[M]+ 239.00116 148.4
[M]- 239.00226 148.4
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