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 133.6
[M+Na]+ 215.02387 142.9
[M-H]- 191.02737 133.0
[M+NH4]+ 210.06847 150.8
[M+K]+ 230.99781 143.7
[M+H-H2O]+ 175.03191 125.0
[M+HCOO]- 237.03285 153.1
[M+CH3COO]- 251.04850 180.5
[M+Na-2H]- 213.00932 137.6
[M]+ 192.03410 135.1
[M]- 192.03520 135.1
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.