CID 164643472

2228385-15-5

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 127.7
[M+Na]+ 185.01330 136.2
[M-H]- 161.01680 123.7
[M+NH4]+ 180.05790 145.8
[M+K]+ 200.98724 134.0
[M+H-H2O]+ 145.02134 120.1
[M+HCOO]- 207.02228 144.6
[M+CH3COO]- 221.03793 169.2
[M+Na-2H]- 182.99875 133.0
[M]+ 162.02353 122.7
[M]- 162.02463 122.7
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.