CID 137935472

2248330-68-7

Structural Information

Molecular Formula
C7H8F2N2O3
SMILES
CC(C)(C1=NC(=NO1)C(=O)O)C(F)F
InChI
InChI=1S/C7H8F2N2O3/c1-7(2,5(8)9)6-10-3(4(12)13)11-14-6/h5H,1-2H3,(H,12,13)
InChIKey
QMMODRCALMXPQE-UHFFFAOYSA-N
Compound name
5-(1,1-difluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0503 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05758 138.5
[M+Na]+ 229.03952 147.3
[M-H]- 205.04302 136.7
[M+NH4]+ 224.08412 154.5
[M+K]+ 245.01346 147.4
[M+H-H2O]+ 189.04756 130.8
[M+HCOO]- 251.04850 154.6
[M+CH3COO]- 265.06415 182.0
[M+Na-2H]- 227.02497 142.4
[M]+ 206.04975 138.0
[M]- 206.05085 138.0
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.