CID 127255821

2,5-dibromo-4-chloropyrimidine

Structural Information

Molecular Formula
C4HBr2ClN2
SMILES
C1=C(C(=NC(=N1)Br)Cl)Br
InChI
InChI=1S/C4HBr2ClN2/c5-2-1-8-4(6)9-3(2)7/h1H
InChIKey
NWSGTMQWSIVNIF-UHFFFAOYSA-N
Compound name
2,5-dibromo-4-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.8195 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.82678 122.9
[M+Na]+ 292.80872 137.1
[M-H]- 268.81222 128.4
[M+NH4]+ 287.85332 142.3
[M+K]+ 308.78266 120.8
[M+H-H2O]+ 252.81676 131.9
[M+HCOO]- 314.81770 135.6
[M+CH3COO]- 328.83335 197.3
[M+Na-2H]- 290.79417 133.2
[M]+ 269.81895 158.4
[M]- 269.82005 158.4
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