CID 812101

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

Structural Information

Molecular Formula
C14H10N2O3
SMILES
C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)O
InChI
InChI=1S/C14H10N2O3/c17-14(18)12-9-11(13-7-4-8-19-13)15-16(12)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKey
NQQPNNSSTWGYPK-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-2-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.06914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07642 152.4
[M+Na]+ 277.05836 162.3
[M-H]- 253.06186 160.5
[M+NH4]+ 272.10296 168.0
[M+K]+ 293.03230 159.7
[M+H-H2O]+ 237.06640 144.6
[M+HCOO]- 299.06734 176.0
[M+CH3COO]- 313.08299 165.9
[M+Na-2H]- 275.04381 156.0
[M]+ 254.06859 155.6
[M]- 254.06969 155.6
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.