CID 139022478

3-(difluoromethyl)-1,2-oxazole-5-carbaldehyde

Structural Information

Molecular Formula
C5H3F2NO2
SMILES
C1=C(ON=C1C(F)F)C=O
InChI
InChI=1S/C5H3F2NO2/c6-5(7)4-1-3(2-9)10-8-4/h1-2,5H
InChIKey
RFGVWGHFFBMBGN-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-1,2-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.01318 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.020456 121.2
[M+Na]+ 170.002398 131.3
[M-H]- 146.005904 122.1
[M+NH4]+ 165.047003 141.7
[M+K]+ 185.976338 131.5
[M+H-H2O]+ 130.010440 114.0
[M+HCOO]- 192.011381 143.2
[M+CH3COO]- 206.027031 172.5
[M+Na-2H]- 167.987846 127.1
[M]+ 147.01263142 121.1
[M]- 147.01372858 121.1
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.