CID 165980977

2-bromo-4-chloro-3-iodopyrazolo[1,5-a]pyrazine

Structural Information

Molecular Formula
C6H2BrClIN3
SMILES
C1=CN2C(=C(C(=N2)Br)I)C(=N1)Cl
InChI
InChI=1S/C6H2BrClIN3/c7-5-3(9)4-6(8)10-1-2-12(4)11-5/h1-2H
InChIKey
HPLQXNZWIYHHLQ-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-3-iodopyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.81653 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.82381 135.2
[M+Na]+ 379.80575 145.7
[M-H]- 355.80925 133.2
[M+NH4]+ 374.85035 152.0
[M+K]+ 395.77969 139.0
[M+H-H2O]+ 339.81379 131.7
[M+HCOO]- 401.81473 147.7
[M+CH3COO]- 415.83038 147.7
[M+Na-2H]- 377.79120 134.3
[M]+ 356.81598 154.4
[M]- 356.81708 154.4
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

No patent data available for this compound.