CID 53418321

1989659-48-4

Structural Information

Molecular Formula
C4HF3N2O3
SMILES
C1(=NN=C(O1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C4HF3N2O3/c5-4(6,7)3-9-8-1(12-3)2(10)11/h(H,10,11)
InChIKey
XPLONTOEZSMACT-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

181.99393 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.001206 127.0
[M+Na]+ 204.983148 137.4
[M-H]- 180.986654 124.2
[M+NH4]+ 200.027753 144.0
[M+K]+ 220.957088 137.2
[M+H-H2O]+ 164.991190 118.7
[M+HCOO]- 226.992131 144.0
[M+CH3COO]- 241.007781 174.2
[M+Na-2H]- 202.968596 133.0
[M]+ 181.99338142 124.7
[M]- 181.99447858 124.7
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