CID 231053

5-(bromomethyl)-2,4,6-trichloropyrimidine

Structural Information

Molecular Formula
C5H2BrCl3N2
SMILES
C(C1=C(N=C(N=C1Cl)Cl)Cl)Br
InChI
InChI=1S/C5H2BrCl3N2/c6-1-2-3(7)10-5(9)11-4(2)8/h1H2
InChIKey
MTJKSXNANQVPIO-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2,4,6-trichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.84668 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.85396 134.0
[M+Na]+ 296.83590 150.0
[M-H]- 272.83940 136.6
[M+NH4]+ 291.88050 153.3
[M+K]+ 312.80984 136.0
[M+H-H2O]+ 256.84394 135.2
[M+HCOO]- 318.84488 140.2
[M+CH3COO]- 332.86053 192.1
[M+Na-2H]- 294.82135 141.6
[M]+ 273.84613 154.6
[M]- 273.84723 154.6
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.