CID 45790258

3-iodo-1h-indazole-6-carbaldehyde

Structural Information

Molecular Formula
C8H5IN2O
SMILES
C1=CC2=C(NN=C2C=C1C=O)I
InChI
InChI=1S/C8H5IN2O/c9-8-6-2-1-5(4-12)3-7(6)10-11-8/h1-4H,(H,10,11)
InChIKey
LNFYGHSDBUEHAM-UHFFFAOYSA-N
Compound name
3-iodo-2H-indazole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

271.94467 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.95195 139.0
[M+Na]+ 294.93389 145.2
[M+NH4]+ 289.97849 143.0
[M+K]+ 310.90783 143.8
[M-H]- 270.93739 133.7
[M+Na-2H]- 292.91934 133.0
[M]+ 271.94412 137.2
[M]- 271.94522 137.2
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