CID 145913471

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

Structural Information

Molecular Formula
C6H3ClIN3
SMILES
C1=CN2C(=C(C=N2)I)C(=N1)Cl
InChI
InChI=1S/C6H3ClIN3/c7-6-5-4(8)3-10-11(5)2-1-9-6/h1-3H
InChIKey
ZSNIYFBYEWFTKA-UHFFFAOYSA-N
Compound name
4-chloro-3-iodopyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.906 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.91328 126.7
[M+Na]+ 301.89522 133.0
[M-H]- 277.89872 121.2
[M+NH4]+ 296.93982 142.4
[M+K]+ 317.86916 134.6
[M+H-H2O]+ 261.90326 116.4
[M+HCOO]- 323.90420 140.9
[M+CH3COO]- 337.91985 137.5
[M+Na-2H]- 299.88067 124.6
[M]+ 278.90545 128.1
[M]- 278.90655 128.1
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

patents stripe