CID 165731689

4-chloro-7-iodo-2-methylpyrazolo[1,5-a]pyrazine

Structural Information

Molecular Formula
C7H5ClIN3
SMILES
CC1=NN2C(=C1)C(=NC=C2I)Cl
InChI
InChI=1S/C7H5ClIN3/c1-4-2-5-7(8)10-3-6(9)12(5)11-4/h2-3H,1H3
InChIKey
HBVSFPYHIGBZGV-UHFFFAOYSA-N
Compound name
4-chloro-7-iodo-2-methylpyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.92166 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.92894 131.2
[M+Na]+ 315.91088 138.0
[M-H]- 291.91438 125.9
[M+NH4]+ 310.95548 146.6
[M+K]+ 331.88482 139.3
[M+H-H2O]+ 275.91892 121.0
[M+HCOO]- 337.91986 145.0
[M+CH3COO]- 351.93551 141.9
[M+Na-2H]- 313.89633 127.9
[M]+ 292.92111 133.3
[M]- 292.92221 133.3
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.

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No patent data available for this compound.