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]+ 294.95384 132.3
[M+Na]+ 316.93578 137.0
[M-H]- 292.93928 125.7
[M+NH4]+ 311.98038 147.8
[M+K]+ 332.90972 139.4
[M+H-H2O]+ 276.94382 120.7
[M+HCOO]- 338.94476 148.7
[M+CH3COO]- 352.96041 142.2
[M+Na-2H]- 314.92123 127.4
[M]+ 293.94601 129.7
[M]- 293.94711 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.