CID 164643472

2,2-difluoro-2-(1h-pyrazol-3-yl)acetic acid

Structural Information

Molecular Formula
C5H4F2N2O2
SMILES
C1=C(NN=C1)C(C(=O)O)(F)F
InChI
InChI=1S/C5H4F2N2O2/c6-5(7,4(10)11)3-1-2-8-9-3/h1-2H,(H,8,9)(H,10,11)
InChIKey
GHBXXLXXBOYKHN-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(1H-pyrazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.02408 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03136 131.2
[M+Na]+ 185.01330 138.5
[M+NH4]+ 180.05790 135.7
[M+K]+ 200.98724 137.8
[M-H]- 161.01680 125.7
[M+Na-2H]- 182.99875 133.7
[M]+ 162.02353 130.0
[M]- 162.02463 130.0
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.