CID 2775669

223499-20-5

Structural Information

Molecular Formula
C10H7F3N2O2S
SMILES
CN1C(=CC(=N1)C2=CC=C(S2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C10H7F3N2O2S/c1-15-8(10(11,12)13)4-5(14-15)6-2-3-7(18-6)9(16)17/h2-4H,1H3,(H,16,17)
InChIKey
MGYVPTDPOYVOQK-UHFFFAOYSA-N
Compound name
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

276.01804 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02532 162.1
[M+Na]+ 299.00726 169.9
[M+NH4]+ 294.05186 166.3
[M+K]+ 314.98120 167.8
[M-H]- 275.01076 158.1
[M+Na-2H]- 296.99271 164.4
[M]+ 276.01749 162.1
[M]- 276.01859 162.1
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