CID 29921548

6-(trifluoromethoxy)-2h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C9H5F3N2O3
SMILES
C1=CC2=C(C=C1OC(F)(F)F)NN=C2C(=O)O
InChI
InChI=1S/C9H5F3N2O3/c10-9(11,12)17-4-1-2-5-6(3-4)13-14-7(5)8(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey
DBSBRTKNVSHDMD-UHFFFAOYSA-N
Compound name
6-(trifluoromethoxy)-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

246.02522 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03250 145.3
[M+Na]+ 269.01444 156.4
[M-H]- 245.01794 141.9
[M+NH4]+ 264.05904 161.7
[M+K]+ 284.98838 152.3
[M+H-H2O]+ 229.02248 136.8
[M+HCOO]- 291.02342 161.3
[M+CH3COO]- 305.03907 185.1
[M+Na-2H]- 266.99989 150.8
[M]+ 246.02467 143.3
[M]- 246.02577 143.3
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

patents stripe