CID 12475306

3-iodo-6-nitroindazole

Structural Information

Molecular Formula
C7H4IN3O2
SMILES
C1=CC2=C(NN=C2C=C1[N+](=O)[O-])I
InChI
InChI=1S/C7H4IN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
InChIKey
GZCGNGLOCQEDMT-UHFFFAOYSA-N
Compound name
3-iodo-6-nitro-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

288.9348 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.94208 140.8
[M+Na]+ 311.92402 143.8
[M-H]- 287.92752 135.7
[M+NH4]+ 306.96862 154.8
[M+K]+ 327.89796 142.5
[M+H-H2O]+ 271.93206 134.9
[M+HCOO]- 333.93300 159.7
[M+CH3COO]- 347.94865 180.6
[M+Na-2H]- 309.90947 138.9
[M]+ 288.93425 137.1
[M]- 288.93535 137.1
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