CID 21813550

5-iodo-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C8H5IN2O2
SMILES
C1=CC2=C(C=C1I)C(=NN2)C(=O)O
InChI
InChI=1S/C8H5IN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
InChIKey
VRWNCSJMDOUQJT-UHFFFAOYSA-N
Compound name
5-iodo-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

287.93958 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.94686 139.3
[M+Na]+ 310.92880 142.9
[M-H]- 286.93230 132.7
[M+NH4]+ 305.97340 153.4
[M+K]+ 326.90274 145.0
[M+H-H2O]+ 270.93684 129.6
[M+HCOO]- 332.93778 155.1
[M+CH3COO]- 346.95343 183.8
[M+Na-2H]- 308.91425 134.0
[M]+ 287.93903 137.0
[M]- 287.94013 137.0
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