CID 82396132

2613383-74-5

Structural Information

Molecular Formula
C7H5F3N2O2
SMILES
C1=C(N=C(C=N1)C(F)(F)F)CC(=O)O
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-11-2-4(12-5)1-6(13)14/h2-3H,1H2,(H,13,14)
InChIKey
ROERATAIKSBXGQ-UHFFFAOYSA-N
Compound name
2-[6-(trifluoromethyl)pyrazin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03032 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03760 143.1
[M+Na]+ 229.01954 151.5
[M+NH4]+ 224.06414 146.9
[M+K]+ 244.99348 148.2
[M-H]- 205.02304 137.7
[M+Na-2H]- 227.00499 146.3
[M]+ 206.02977 142.3
[M]- 206.03087 142.3
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.