CID 84659395

3-(difluoromethyl)-1h-indazol-7-ol

Structural Information

Molecular Formula
C8H6F2N2O
SMILES
C1=CC2=C(NN=C2C(=C1)O)C(F)F
InChI
InChI=1S/C8H6F2N2O/c9-8(10)7-4-2-1-3-5(13)6(4)11-12-7/h1-3,8,13H,(H,11,12)
InChIKey
QWNNKEZDYMQMEN-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-2H-indazol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04482 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05210 132.1
[M+Na]+ 207.03404 143.2
[M-H]- 183.03754 129.8
[M+NH4]+ 202.07864 151.2
[M+K]+ 223.00798 138.7
[M+H-H2O]+ 167.04208 124.3
[M+HCOO]- 229.04302 150.6
[M+CH3COO]- 243.05867 144.9
[M+Na-2H]- 205.01949 137.8
[M]+ 184.04427 129.4
[M]- 184.04537 129.4
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.