CID 53399261

3-iodo-1h-indazole-6-carbonitrile

Structural Information

Molecular Formula
C8H4IN3
SMILES
C1=CC2=C(NN=C2C=C1C#N)I
InChI
InChI=1S/C8H4IN3/c9-8-6-2-1-5(4-10)3-7(6)11-12-8/h1-3H,(H,11,12)
InChIKey
FRYOUXROKRKPQP-UHFFFAOYSA-N
Compound name
3-iodo-2H-indazole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

268.94498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.952256 136.3
[M+Na]+ 291.934198 142.7
[M-H]- 267.937704 130.5
[M+NH4]+ 286.978803 150.1
[M+K]+ 307.908138 142.5
[M+H-H2O]+ 251.942240 120.1
[M+HCOO]- 313.943181 150.7
[M+CH3COO]- 327.958831 144.8
[M+Na-2H]- 289.919646 132.9
[M]+ 268.94443142 129.4
[M]- 268.94552858 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