CID 53403797

1378579-95-3

Structural Information

Molecular Formula
C5H2F3NO2
SMILES
C1=C(OC(=N1)C(F)(F)F)C=O
InChI
InChI=1S/C5H2F3NO2/c6-5(7,8)4-9-1-3(2-10)11-4/h1-2H
InChIKey
XHSMKQXJGKQRMM-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.00377 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.01105 123.5
[M+Na]+ 187.99299 134.4
[M-H]- 163.99649 123.3
[M+NH4]+ 183.03759 143.5
[M+K]+ 203.96693 134.1
[M+H-H2O]+ 148.00103 116.0
[M+HCOO]- 210.00197 143.8
[M+CH3COO]- 224.01762 174.1
[M+Na-2H]- 185.97844 130.9
[M]+ 165.00322 122.2
[M]- 165.00432 122.2
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.