CID 251739

7150-71-2

Structural Information

Molecular Formula
C10H8BrCl2N5
SMILES
C1=CC(=C(C=C1NC2=NC(=NC(=C2Br)N)N)Cl)Cl
InChI
InChI=1S/C10H8BrCl2N5/c11-7-8(14)17-10(15)18-9(7)16-4-1-2-5(12)6(13)3-4/h1-3H,(H5,14,15,16,17,18)
InChIKey
AUXCWZNSXWCPBK-UHFFFAOYSA-N
Compound name
5-bromo-4-N-(3,4-dichlorophenyl)pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

346.93402 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.94130 162.2
[M+Na]+ 369.92324 176.1
[M-H]- 345.92674 167.9
[M+NH4]+ 364.96784 177.2
[M+K]+ 385.89718 160.1
[M+H-H2O]+ 329.93128 160.1
[M+HCOO]- 391.93222 174.9
[M+CH3COO]- 405.94787 174.9
[M+Na-2H]- 367.90869 167.7
[M]+ 346.93347 180.2
[M]- 346.93457 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.