CID 21894739

5-iodo-1h-indazole

Structural Information

Molecular Formula
C7H5IN2
SMILES
C1=CC2=C(C=C1I)C=NN2
InChI
InChI=1S/C7H5IN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey
CGCHCLICSHIAAM-UHFFFAOYSA-N
Compound name
5-iodo-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

436
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 126.0
[M+Na]+ 266.93897 130.0
[M-H]- 242.94247 120.4
[M+NH4]+ 261.98357 142.6
[M+K]+ 282.91291 132.2
[M+H-H2O]+ 226.94701 116.3
[M+HCOO]- 288.94795 144.2
[M+CH3COO]- 302.96360 136.4
[M+Na-2H]- 264.92442 123.8
[M]+ 243.94920 123.5
[M]- 243.95030 123.5
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