CID 165749566

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

Structural Information

Molecular Formula
C7H5BrClN3
SMILES
CC1=NN2C=CN=C(C2=C1Br)Cl
InChI
InChI=1S/C7H5BrClN3/c1-4-5(8)6-7(9)10-2-3-12(6)11-4/h2-3H,1H3
InChIKey
ZAZDHRRACXYDHH-UHFFFAOYSA-N
Compound name
3-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.93555 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.94283 137.4
[M+Na]+ 267.92477 154.8
[M-H]- 243.92827 142.0
[M+NH4]+ 262.96937 159.2
[M+K]+ 283.89871 142.1
[M+H-H2O]+ 227.93281 137.4
[M+HCOO]- 289.93375 154.1
[M+CH3COO]- 303.94940 153.9
[M+Na-2H]- 265.91022 146.7
[M]+ 244.93500 160.5
[M]- 244.93610 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.