CID 114763638

3-(difluoromethyl)-4,5-dihydro-1,2-oxazol-5-one

Structural Information

Molecular Formula
C4H3F2NO2
SMILES
C1C(=NOC1=O)C(F)F
InChI
InChI=1S/C4H3F2NO2/c5-4(6)2-1-3(8)9-7-2/h4H,1H2
InChIKey
PUGOHTYVWTWGQH-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-4H-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.01318 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.02046 118.6
[M+Na]+ 158.00240 128.0
[M-H]- 134.00590 119.2
[M+NH4]+ 153.04700 139.4
[M+K]+ 173.97634 128.6
[M+H-H2O]+ 118.01044 111.5
[M+HCOO]- 180.01138 139.3
[M+CH3COO]- 194.02703 169.8
[M+Na-2H]- 155.98785 124.0
[M]+ 135.01263 116.6
[M]- 135.01373 116.6
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.