CID 49949151

1276541-99-1

Structural Information

Molecular Formula
C10H6F2N2O2
SMILES
C1=C(C=C(C=C1F)F)C2=NNC(=C2)C(=O)O
InChI
InChI=1S/C10H6F2N2O2/c11-6-1-5(2-7(12)3-6)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKey
FXNNWDFZQWBOLL-UHFFFAOYSA-N
Compound name
3-(3,5-difluorophenyl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03973 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04701 142.7
[M+Na]+ 247.02895 152.9
[M-H]- 223.03245 142.6
[M+NH4]+ 242.07355 158.8
[M+K]+ 263.00289 148.1
[M+H-H2O]+ 207.03699 133.9
[M+HCOO]- 269.03793 161.1
[M+CH3COO]- 283.05358 183.2
[M+Na-2H]- 245.01440 145.0
[M]+ 224.03918 139.1
[M]- 224.04028 139.1
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.