CID 22352410

5-chloro-3-iodo-1h-indazole

Structural Information

Molecular Formula
C7H4ClIN2
SMILES
C1=CC2=NNC(=C2C=C1Cl)I
InChI
InChI=1S/C7H4ClIN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
InChIKey
ZPFBQBOZEDHSGM-UHFFFAOYSA-N
Compound name
5-chloro-3-iodo-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

277.91077 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.918046 130.2
[M+Na]+ 300.899988 135.7
[M-H]- 276.903494 124.6
[M+NH4]+ 295.944593 146.5
[M+K]+ 316.873928 136.2
[M+H-H2O]+ 260.908030 121.0
[M+HCOO]- 322.908971 143.9
[M+CH3COO]- 336.924621 140.5
[M+Na-2H]- 298.885436 126.9
[M]+ 277.91022142 129.7
[M]- 277.91131858 129.7
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