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]+ 148.02046 121.2
[M+Na]+ 170.00240 131.3
[M-H]- 146.00590 122.1
[M+NH4]+ 165.04700 141.7
[M+K]+ 185.97634 131.5
[M+H-H2O]+ 130.01044 114.0
[M+HCOO]- 192.01138 143.2
[M+CH3COO]- 206.02703 172.5
[M+Na-2H]- 167.98785 127.1
[M]+ 147.01263 121.1
[M]- 147.01373 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.