CID 142510645

2-(difluoromethyl)-1,3-oxazole

Structural Information

Molecular Formula
C4H3F2NO
SMILES
C1=COC(=N1)C(F)F
InChI
InChI=1S/C4H3F2NO/c5-3(6)4-7-1-2-8-4/h1-3H
InChIKey
FAOIAALXEAYCSF-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

119.01827 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.025546 115.2
[M+Na]+ 142.007488 124.4
[M-H]- 118.010994 115.8
[M+NH4]+ 137.052093 136.6
[M+K]+ 157.981428 125.1
[M+H-H2O]+ 102.015530 107.9
[M+HCOO]- 164.016471 137.0
[M+CH3COO]- 178.032121 167.3
[M+Na-2H]- 139.992936 122.3
[M]+ 119.01772142 113.5
[M]- 119.01881858 113.5
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

patents stripe