CID 135039813

2-(difluoromethyl)-3-iodo-2h-indazole

Structural Information

Molecular Formula
C8H5F2IN2
SMILES
C1=CC2=C(N(N=C2C=C1)C(F)F)I
InChI
InChI=1S/C8H5F2IN2/c9-8(10)13-7(11)5-3-1-2-4-6(5)12-13/h1-4,8H
InChIKey
DOPDWMPRONJPFY-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-3-iodoindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.94656 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.953836 132.3
[M+Na]+ 316.935778 137.0
[M-H]- 292.939284 125.7
[M+NH4]+ 311.980383 147.8
[M+K]+ 332.909718 139.4
[M+H-H2O]+ 276.943820 120.7
[M+HCOO]- 338.944761 148.7
[M+CH3COO]- 352.960411 142.2
[M+Na-2H]- 314.921226 127.4
[M]+ 293.94601142 129.7
[M]- 293.94710858 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

literature stripe

Patent stripe

No patent data available for this compound.