CID 42945005

1152880-87-9

Structural Information

Molecular Formula
C11H10FN3O3
SMILES
C1C(N(N=C1C(=O)O)C2=CC=C(C=C2)F)C(=O)N
InChI
InChI=1S/C11H10FN3O3/c12-6-1-3-7(4-2-6)15-9(10(13)16)5-8(14-15)11(17)18/h1-4,9H,5H2,(H2,13,16)(H,17,18)
InChIKey
LHGQLTDUMDUDCU-UHFFFAOYSA-N
Compound name
3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07062 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.077896 152.2
[M+Na]+ 274.059838 160.1
[M-H]- 250.063344 153.9
[M+NH4]+ 269.104443 166.9
[M+K]+ 290.033778 156.9
[M+H-H2O]+ 234.067880 143.5
[M+HCOO]- 296.068821 171.1
[M+CH3COO]- 310.084471 193.1
[M+Na-2H]- 272.045286 152.3
[M]+ 251.07007142 148.8
[M]- 251.07116858 148.8
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.