CID 60907405

3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid

Structural Information

Molecular Formula
C6H6F2N2O3
SMILES
C(CC(=O)O)C1=NN=C(O1)C(F)F
InChI
InChI=1S/C6H6F2N2O3/c7-5(8)6-10-9-3(13-6)1-2-4(11)12/h5H,1-2H2,(H,11,12)
InChIKey
KOBXYOAENUITRX-UHFFFAOYSA-N
Compound name
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.03465 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04193 134.1
[M+Na]+ 215.02387 142.9
[M-H]- 191.02737 132.1
[M+NH4]+ 210.06847 150.6
[M+K]+ 230.99781 142.7
[M+H-H2O]+ 175.03191 125.7
[M+HCOO]- 237.03285 152.1
[M+CH3COO]- 251.04850 178.6
[M+Na-2H]- 213.00932 137.6
[M]+ 192.03410 133.8
[M]- 192.03520 133.8
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.