CID 20778080

3-iodo-6-methyl-1h-indazole

Structural Information

Molecular Formula
C8H7IN2
SMILES
CC1=CC2=NNC(=C2C=C1)I
InChI
InChI=1S/C8H7IN2/c1-5-2-3-6-7(4-5)10-11-8(6)9/h2-4H,1H3,(H,10,11)
InChIKey
LCBIAXZUZKSIHA-UHFFFAOYSA-N
Compound name
3-iodo-6-methyl-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

257.9654 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97268 135.1
[M+Na]+ 280.95462 141.8
[M+NH4]+ 275.99922 139.9
[M+K]+ 296.92856 140.0
[M-H]- 256.95812 130.5
[M+Na-2H]- 278.94007 129.8
[M]+ 257.96485 133.7
[M]- 257.96595 133.7
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