CID 16227928

1-(3-chlorophenyl)-5-(furan-2-yl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C14H9ClN2O3
SMILES
C1=CC(=CC(=C1)Cl)N2C(=CC(=N2)C(=O)O)C3=CC=CO3
InChI
InChI=1S/C14H9ClN2O3/c15-9-3-1-4-10(7-9)17-12(13-5-2-6-20-13)8-11(16-17)14(18)19/h1-8H,(H,18,19)
InChIKey
ZSJXBAZRVIEQCK-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.03018 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.03746 160.5
[M+Na]+ 311.01940 172.0
[M-H]- 287.02290 168.7
[M+NH4]+ 306.06400 175.7
[M+K]+ 326.99334 167.7
[M+H-H2O]+ 271.02744 152.9
[M+HCOO]- 333.02838 179.2
[M+CH3COO]- 347.04403 173.7
[M+Na-2H]- 309.00485 162.6
[M]+ 288.02963 166.0
[M]- 288.03073 166.0
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

No patent data available for this compound.