CID 16206234

S-triazine, 2-(2-bromoethyl)-4,6-dichloro-

Structural Information

Molecular Formula
C5H4BrCl2N3
SMILES
C(CBr)C1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C5H4BrCl2N3/c6-2-1-3-9-4(7)11-5(8)10-3/h1-2H2
InChIKey
JQJMFYZGOLQHTC-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-4,6-dichloro-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.89658 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.90386 132.5
[M+Na]+ 277.88580 147.8
[M-H]- 253.88930 134.7
[M+NH4]+ 272.93040 151.2
[M+K]+ 293.85974 134.5
[M+H-H2O]+ 237.89384 132.4
[M+HCOO]- 299.89478 142.8
[M+CH3COO]- 313.91043 188.5
[M+Na-2H]- 275.87125 141.9
[M]+ 254.89603 153.9
[M]- 254.89713 153.9
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.