CID 24729349

3-iodo-1h-indazole-4-carbonitrile

Structural Information

Molecular Formula
C8H4IN3
SMILES
C1=CC2=NNC(=C2C(=C1)C#N)I
InChI
InChI=1S/C8H4IN3/c9-8-7-5(4-10)2-1-3-6(7)11-12-8/h1-3H,(H,11,12)
InChIKey
ASELKRKBVMZMSK-UHFFFAOYSA-N
Compound name
3-iodo-2H-indazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

268.94498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.95226 136.3
[M+Na]+ 291.93420 142.7
[M-H]- 267.93770 130.5
[M+NH4]+ 286.97880 150.1
[M+K]+ 307.90814 142.5
[M+H-H2O]+ 251.94224 120.1
[M+HCOO]- 313.94318 150.7
[M+CH3COO]- 327.95883 144.8
[M+Na-2H]- 289.91965 132.9
[M]+ 268.94443 129.4
[M]- 268.94553 129.4
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