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

2
Patents

239.00171 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.008986 146.6
[M+Na]+ 261.990928 156.9
[M-H]- 237.994434 149.9
[M+NH4]+ 257.035533 162.5
[M+K]+ 277.964868 150.5
[M+H-H2O]+ 221.998970 138.9
[M+HCOO]- 283.999911 160.6
[M+CH3COO]- 298.015561 158.9
[M+Na-2H]- 259.976376 154.5
[M]+ 239.00116142 148.4
[M]- 239.00225858 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