CID 105454075

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

Structural Information

Molecular Formula
C8H5F3N2O
SMILES
C1=CC2=C(NN=C2C(=C1)O)C(F)(F)F
InChI
InChI=1S/C8H5F3N2O/c9-8(10,11)7-4-2-1-3-5(14)6(4)12-13-7/h1-3,14H,(H,12,13)
InChIKey
MIICSPIRZYKKPD-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-2H-indazol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0354 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04268 135.9
[M+Na]+ 225.02462 147.9
[M-H]- 201.02812 132.5
[M+NH4]+ 220.06922 154.5
[M+K]+ 240.99856 142.9
[M+H-H2O]+ 185.03266 127.7
[M+HCOO]- 247.03360 152.8
[M+CH3COO]- 261.04925 177.9
[M+Na-2H]- 223.01007 142.9
[M]+ 202.03485 132.1
[M]- 202.03595 132.1
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.