CID 65354675

5-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H6F3NO3
SMILES
C1=NC(=C(O1)CCC(F)(F)F)C(=O)O
InChI
InChI=1S/C7H6F3NO3/c8-7(9,10)2-1-4-5(6(12)13)11-3-14-4/h3H,1-2H2,(H,12,13)
InChIKey
CDWNXJFAWVEXAG-UHFFFAOYSA-N
Compound name
5-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02998 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03726 136.8
[M+Na]+ 232.01920 146.0
[M-H]- 208.02270 135.0
[M+NH4]+ 227.06380 154.1
[M+K]+ 247.99314 145.2
[M+H-H2O]+ 192.02724 129.0
[M+HCOO]- 254.02818 154.2
[M+CH3COO]- 268.04383 180.4
[M+Na-2H]- 230.00465 141.5
[M]+ 209.02943 135.1
[M]- 209.03053 135.1
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.