CID 138986049

2-(4-(2,2-difluoroethoxy)-1h-pyrazol-1-yl)acetic acid

Structural Information

Molecular Formula
C7H8F2N2O3
SMILES
C1=C(C=NN1CC(=O)O)OCC(F)F
InChI
InChI=1S/C7H8F2N2O3/c8-6(9)4-14-5-1-10-11(2-5)3-7(12)13/h1-2,6H,3-4H2,(H,12,13)
InChIKey
XTOASTANNURYRY-UHFFFAOYSA-N
Compound name
2-[4-(2,2-difluoroethoxy)pyrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0503 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05758 138.2
[M+Na]+ 229.03952 146.5
[M-H]- 205.04302 135.4
[M+NH4]+ 224.08412 155.3
[M+K]+ 245.01346 145.2
[M+H-H2O]+ 189.04756 129.5
[M+HCOO]- 251.04850 156.8
[M+CH3COO]- 265.06415 181.6
[M+Na-2H]- 227.02497 140.4
[M]+ 206.04975 137.6
[M]- 206.05085 137.6
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.