CID 40424302

6-(trifluoromethyl)-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C9H5F3N2O2
SMILES
C1=CC2=C(C=C1C(F)(F)F)NN=C2C(=O)O
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)4-1-2-5-6(3-4)13-14-7(5)8(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey
PUNYEWFCUQQVCA-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

230.03032 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.037596 142.6
[M+Na]+ 253.019538 153.9
[M-H]- 229.023044 139.1
[M+NH4]+ 248.064143 159.7
[M+K]+ 268.993478 149.2
[M+H-H2O]+ 213.027580 134.2
[M+HCOO]- 275.028521 158.4
[M+CH3COO]- 289.044171 183.0
[M+Na-2H]- 251.004986 147.9
[M]+ 230.02977142 139.2
[M]- 230.03086858 139.2
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