CID 24728524

887569-17-7

Structural Information

Molecular Formula
C8H6FIN2O
SMILES
COC1=CC2=NNC(=C2C(=C1)F)I
InChI
InChI=1S/C8H6FIN2O/c1-13-4-2-5(9)7-6(3-4)11-12-8(7)10/h2-3H,1H3,(H,11,12)
InChIKey
XOCULNIYHIHFDH-UHFFFAOYSA-N
Compound name
4-fluoro-3-iodo-6-methoxy-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9509 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.95818 136.0
[M+Na]+ 314.94012 141.2
[M-H]- 290.94362 129.7
[M+NH4]+ 309.98472 151.2
[M+K]+ 330.91406 143.2
[M+H-H2O]+ 274.94816 125.5
[M+HCOO]- 336.94910 153.0
[M+CH3COO]- 350.96475 187.8
[M+Na-2H]- 312.92557 131.3
[M]+ 291.95035 134.8
[M]- 291.95145 134.8
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.