CID 155822035

3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine

Structural Information

Molecular Formula
C6H2BrClIN3
SMILES
C1=C(N2C(=C(C=N2)Br)C(=N1)Cl)I
InChI
InChI=1S/C6H2BrClIN3/c7-3-1-11-12-4(9)2-10-6(8)5(3)12/h1-2H
InChIKey
NHXISKDLMQSWFQ-UHFFFAOYSA-N
Compound name
3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.81653 Da
Monoisotopic Mass

2.3
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.

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No patent data available for this compound.