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

3
Patents

119.01827 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02555 115.2
[M+Na]+ 142.00749 124.4
[M-H]- 118.01099 115.8
[M+NH4]+ 137.05209 136.6
[M+K]+ 157.98143 125.1
[M+H-H2O]+ 102.01553 107.9
[M+HCOO]- 164.01647 137.0
[M+CH3COO]- 178.03212 167.3
[M+Na-2H]- 139.99294 122.3
[M]+ 119.01772 113.5
[M]- 119.01882 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