CID 20691945

1036648-53-9

Structural Information

Molecular Formula
C4H3F3N2O
SMILES
CC1=NN=C(O1)C(F)(F)F
InChI
InChI=1S/C4H3F3N2O/c1-2-8-9-3(10-2)4(5,6)7/h1H3
InChIKey
OGOVYAPJJIMAHU-UHFFFAOYSA-N
Compound name
2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

152.01974 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02702 121.7
[M+Na]+ 175.00896 132.8
[M-H]- 151.01246 120.2
[M+NH4]+ 170.05356 141.0
[M+K]+ 190.98290 132.8
[M+H-H2O]+ 135.01700 113.4
[M+HCOO]- 197.01794 140.6
[M+CH3COO]- 211.03359 172.8
[M+Na-2H]- 172.99441 129.3
[M]+ 152.01919 119.8
[M]- 152.02029 119.8
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.