CID 12991241

6-iodo-1h-indazole

Structural Information

Molecular Formula
C7H5IN2
SMILES
C1=CC2=C(C=C1I)NN=C2
InChI
InChI=1S/C7H5IN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChIKey
RSGAXJZKQDNFEP-UHFFFAOYSA-N
Compound name
6-iodo-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

243.94975 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.95703 130.4
[M+Na]+ 266.93897 136.9
[M+NH4]+ 261.98357 135.3
[M+K]+ 282.91291 135.2
[M-H]- 242.94247 125.7
[M+Na-2H]- 264.92442 125.6
[M]+ 243.94920 128.9
[M]- 243.95030 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe