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-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.94466 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.95194 125.3
[M+Na]+ 258.93388 128.1
[M-H]- 234.93738 120.1
[M+NH4]+ 253.97848 142.5
[M+K]+ 274.90782 133.0
[M+H-H2O]+ 218.94192 116.4
[M+HCOO]- 280.94286 141.4
[M+CH3COO]- 294.95851 135.6
[M+Na-2H]- 256.91933 120.2
[M]+ 235.94411 122.1
[M]- 235.94521 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