CID 10374574

145441-16-3

Structural Information

Molecular Formula
C5H4FNO3
SMILES
C1=C(ON=C1C(=O)O)CF
InChI
InChI=1S/C5H4FNO3/c6-2-3-1-4(5(8)9)7-10-3/h1H,2H2,(H,8,9)
InChIKey
WVUKMWOGVJZCSS-UHFFFAOYSA-N
Compound name
5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

145.01752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02480 122.5
[M+Na]+ 168.00674 132.0
[M-H]- 144.01024 123.4
[M+NH4]+ 163.05134 142.4
[M+K]+ 183.98068 132.2
[M+H-H2O]+ 128.01478 116.3
[M+HCOO]- 190.01572 144.2
[M+CH3COO]- 204.03137 169.1
[M+Na-2H]- 165.99219 128.5
[M]+ 145.01697 123.1
[M]- 145.01807 123.1
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

patents stripe