CID 165940512

6-bromo-2-iodo-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C5H2BrIN4
SMILES
C1=C(C=NC2=NC(=NN21)I)Br
InChI
InChI=1S/C5H2BrIN4/c6-3-1-8-5-9-4(7)10-11(5)2-3/h1-2H
InChIKey
DAQYAFPKFBRYEF-UHFFFAOYSA-N
Compound name
6-bromo-2-iodo-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.85077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.85805 129.6
[M+Na]+ 346.83999 139.0
[M-H]- 322.84349 126.5
[M+NH4]+ 341.88459 145.5
[M+K]+ 362.81393 134.1
[M+H-H2O]+ 306.84803 125.4
[M+HCOO]- 368.84897 145.7
[M+CH3COO]- 382.86462 142.0
[M+Na-2H]- 344.82544 130.2
[M]+ 323.85022 147.3
[M]- 323.85132 147.3
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.