CID 456863

K1325

Structural Information

Molecular Formula
C10H8Cl2N4
SMILES
C1=CC(=C(C=C1Cl)NC2=NC(=NC=C2)N)Cl
InChI
InChI=1S/C10H8Cl2N4/c11-6-1-2-7(12)8(5-6)15-9-3-4-14-10(13)16-9/h1-5H,(H3,13,14,15,16)
InChIKey
FTSGWAFSAOOYEX-UHFFFAOYSA-N
Compound name
4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0126 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01988 152.2
[M+Na]+ 277.00182 162.6
[M-H]- 253.00532 155.4
[M+NH4]+ 272.04642 167.2
[M+K]+ 292.97576 155.8
[M+H-H2O]+ 237.00986 144.6
[M+HCOO]- 299.01080 166.7
[M+CH3COO]- 313.02645 163.9
[M+Na-2H]- 274.98727 158.6
[M]+ 254.01205 152.8
[M]- 254.01315 152.8
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

No patent data available for this compound.