CID 28819046

1-(2-fluorophenyl)-5-(1h-pyrrol-1-yl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C14H10FN3O2
SMILES
C1=CC=C(C(=C1)N2C(=C(C=N2)C(=O)O)N3C=CC=C3)F
InChI
InChI=1S/C14H10FN3O2/c15-11-5-1-2-6-12(11)18-13(17-7-3-4-8-17)10(9-16-18)14(19)20/h1-9H,(H,19,20)
InChIKey
GWJWVCUSKWCSTQ-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0757 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.082976 156.0
[M+Na]+ 294.064918 166.7
[M-H]- 270.068424 161.1
[M+NH4]+ 289.109523 171.0
[M+K]+ 310.038858 161.9
[M+H-H2O]+ 254.072960 146.2
[M+HCOO]- 316.073901 177.8
[M+CH3COO]- 330.089551 168.5
[M+Na-2H]- 292.050366 157.6
[M]+ 271.07515142 157.0
[M]- 271.07624858 157.0
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.