CID 155858446

3-iodo-1h,4h,6h-furo[3,4-c]pyrazole

Structural Information

Molecular Formula
C5H5IN2O
SMILES
C1C2=C(CO1)NN=C2I
InChI
InChI=1S/C5H5IN2O/c6-5-3-1-9-2-4(3)7-8-5/h1-2H2,(H,7,8)
InChIKey
VDSBAUZMBMAFID-UHFFFAOYSA-N
Compound name
3-iodo-4,6-dihydro-1H-furo[3,4-d]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

235.94466 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.951936 125.3
[M+Na]+ 258.933878 128.1
[M-H]- 234.937384 120.1
[M+NH4]+ 253.978483 142.5
[M+K]+ 274.907818 133.0
[M+H-H2O]+ 218.941920 116.4
[M+HCOO]- 280.942861 141.4
[M+CH3COO]- 294.958511 135.6
[M+Na-2H]- 256.919326 120.2
[M]+ 235.94411142 122.1
[M]- 235.94520858 122.1
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