CID 3701684

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

Structural Information

Molecular Formula
C10H8FN3O2
SMILES
C1=CC=C(C(=C1)N2C(=C(C=N2)C(=O)O)N)F
InChI
InChI=1S/C10H8FN3O2/c11-7-3-1-2-4-8(7)14-9(12)6(5-13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChIKey
ZHBRRQXKEBSCBS-UHFFFAOYSA-N
Compound name
5-amino-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

221.06006 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.067336 144.3
[M+Na]+ 244.049278 153.9
[M-H]- 220.052784 146.4
[M+NH4]+ 239.093883 160.6
[M+K]+ 260.023218 150.1
[M+H-H2O]+ 204.057320 135.7
[M+HCOO]- 266.058261 165.7
[M+CH3COO]- 280.073911 187.3
[M+Na-2H]- 242.034726 147.0
[M]+ 221.05951142 141.9
[M]- 221.06060858 141.9
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