CID 70700915

5-azido-3-iodo-1h-indazole

Structural Information

Molecular Formula
C7H4IN5
SMILES
C1=CC2=NNC(=C2C=C1N=[N+]=[N-])I
InChI
InChI=1S/C7H4IN5/c8-7-5-3-4(10-13-9)1-2-6(5)11-12-7/h1-3H,(H,11,12)
InChIKey
HDDIZZPPRZXNGM-UHFFFAOYSA-N
Compound name
5-azido-3-iodo-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.95114 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.95842 140.0
[M+Na]+ 307.94036 143.0
[M-H]- 283.94386 137.3
[M+NH4]+ 302.98496 155.0
[M+K]+ 323.91430 141.1
[M+H-H2O]+ 267.94840 133.1
[M+HCOO]- 329.94934 164.3
[M+CH3COO]- 343.96499 188.7
[M+Na-2H]- 305.92581 140.8
[M]+ 284.95059 135.6
[M]- 284.95169 135.6
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

No patent data available for this compound.