CID 34176094

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

Structural Information

Molecular Formula
C9H5F3N2O2
SMILES
C1=CC2=C(C=C1C(F)(F)F)C(=NN2)C(=O)O
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)4-1-2-6-5(3-4)7(8(15)16)14-13-6/h1-3H,(H,13,14)(H,15,16)
InChIKey
KEIWGKWVIMXMQT-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

230.03032 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03760 142.6
[M+Na]+ 253.01954 153.9
[M-H]- 229.02304 139.1
[M+NH4]+ 248.06414 159.7
[M+K]+ 268.99348 149.2
[M+H-H2O]+ 213.02758 134.2
[M+HCOO]- 275.02852 158.4
[M+CH3COO]- 289.04417 183.0
[M+Na-2H]- 251.00499 147.9
[M]+ 230.02977 139.2
[M]- 230.03087 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