CID 165919744

6-bromo-1-(difluoromethyl)-3-iodo-1h-indazole

Structural Information

Molecular Formula
C8H4BrF2IN2
SMILES
C1=CC2=C(C=C1Br)N(N=C2I)C(F)F
InChI
InChI=1S/C8H4BrF2IN2/c9-4-1-2-5-6(3-4)14(8(10)11)13-7(5)12/h1-3,8H
InChIKey
MNPWRIJOUNDOOY-UHFFFAOYSA-N
Compound name
6-bromo-1-(difluoromethyl)-3-iodoindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.85706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.86434 146.1
[M+Na]+ 394.84628 154.7
[M-H]- 370.84978 142.9
[M+NH4]+ 389.89088 162.6
[M+K]+ 410.82022 148.8
[M+H-H2O]+ 354.85432 141.0
[M+HCOO]- 416.85526 160.6
[M+CH3COO]- 430.87091 200.6
[M+Na-2H]- 392.83173 141.9
[M]+ 371.85651 161.4
[M]- 371.85761 161.4
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.