CID 167738618

5-bromo-1-(difluoromethyl)-7-methyl-1h-indazole

Structural Information

Molecular Formula
C9H7BrF2N2
SMILES
CC1=CC(=CC2=C1N(N=C2)C(F)F)Br
InChI
InChI=1S/C9H7BrF2N2/c1-5-2-7(10)3-6-4-13-14(8(5)6)9(11)12/h2-4,9H,1H3
InChIKey
AEMAPQAESWPBDA-UHFFFAOYSA-N
Compound name
5-bromo-1-(difluoromethyl)-7-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.97607 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.98335 146.6
[M+Na]+ 282.96529 162.0
[M-H]- 258.96879 150.0
[M+NH4]+ 278.00989 168.0
[M+K]+ 298.93923 150.1
[M+H-H2O]+ 242.97333 144.8
[M+HCOO]- 304.97427 165.4
[M+CH3COO]- 318.98992 193.3
[M+Na-2H]- 280.95074 152.6
[M]+ 259.97552 165.5
[M]- 259.97662 165.5
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.