CID 2329100

325721-14-0

Structural Information

Molecular Formula
C13H9FN2O2S
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H9FN2O2S/c1-7-10-6-11(13(17)18)19-12(10)16(15-7)9-4-2-8(14)3-5-9/h2-6H,1H3,(H,17,18)
InChIKey
VCAOXDAQDFIRFL-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

276.03687 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04415 160.0
[M+Na]+ 299.02609 172.6
[M+NH4]+ 294.07069 167.4
[M+K]+ 315.00003 168.3
[M-H]- 275.02959 160.9
[M+Na-2H]- 297.01154 165.0
[M]+ 276.03632 162.4
[M]- 276.03742 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.