CID 14994495

1-(3-fluorophenyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H7FN2O2
SMILES
C1=CC(=CC(=C1)F)N2C=C(C=N2)C(=O)O
InChI
InChI=1S/C10H7FN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
InChIKey
BMRRLHHPLUQWMN-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

206.04915 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.056426 139.9
[M+Na]+ 229.038368 149.5
[M-H]- 205.041874 142.2
[M+NH4]+ 224.082973 157.2
[M+K]+ 245.012308 146.1
[M+H-H2O]+ 189.046410 131.4
[M+HCOO]- 251.047351 160.9
[M+CH3COO]- 265.063001 181.7
[M+Na-2H]- 227.023816 143.9
[M]+ 206.04860142 138.8
[M]- 206.04969858 138.8
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

patents stripe