CID 19624583

1006962-72-6

Structural Information

Molecular Formula
C10H6F3N3O2
SMILES
C1=CC(=NC=C1C(F)(F)F)N2C=CC(=N2)C(=O)O
InChI
InChI=1S/C10H6F3N3O2/c11-10(12,13)6-1-2-8(14-5-6)16-4-3-7(15-16)9(17)18/h1-5H,(H,17,18)
InChIKey
CSRAZBQUAVXIOL-UHFFFAOYSA-N
Compound name
1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

257.0412 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04848 150.2
[M+Na]+ 280.03042 160.3
[M-H]- 256.03392 148.7
[M+NH4]+ 275.07502 164.0
[M+K]+ 296.00436 156.2
[M+H-H2O]+ 240.03846 139.6
[M+HCOO]- 302.03940 166.0
[M+CH3COO]- 316.05505 189.8
[M+Na-2H]- 278.01587 153.8
[M]+ 257.04065 146.7
[M]- 257.04175 146.7
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