CID 43123859

1-(3,4-difluorophenyl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H6F2N2O2
SMILES
C1=CC(=C(C=C1N2C=CC(=N2)C(=O)O)F)F
InChI
InChI=1S/C10H6F2N2O2/c11-7-2-1-6(5-8(7)12)14-4-3-9(13-14)10(15)16/h1-5H,(H,15,16)
InChIKey
KCDDCLQAGDVJID-UHFFFAOYSA-N
Compound name
1-(3,4-difluorophenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.03973 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04701 142.1
[M+Na]+ 247.02895 152.8
[M-H]- 223.03245 143.4
[M+NH4]+ 242.07355 158.9
[M+K]+ 263.00289 148.9
[M+H-H2O]+ 207.03699 133.0
[M+HCOO]- 269.03793 162.0
[M+CH3COO]- 283.05358 185.6
[M+Na-2H]- 245.01440 144.9
[M]+ 224.03918 140.3
[M]- 224.04028 140.3
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