CID 86811578

1798713-42-4

Structural Information

Molecular Formula
C6H6F2N2O3
SMILES
COC(=O)CC1=NN=C(O1)C(F)F
InChI
InChI=1S/C6H6F2N2O3/c1-12-4(11)2-3-9-10-6(13-3)5(7)8/h5H,2H2,1H3
InChIKey
SJJNMJZRVQCDJF-UHFFFAOYSA-N
Compound name
methyl 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
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 139.9
[M+Na]+ 215.02387 148.3
[M+NH4]+ 210.06847 144.3
[M+K]+ 230.99781 147.3
[M-H]- 191.02737 136.6
[M+Na-2H]- 213.00932 141.7
[M]+ 192.03410 139.6
[M]- 192.03520 139.6
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.