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

1
Patents

206.03032 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.037596 137.5
[M+Na]+ 229.019538 146.9
[M-H]- 205.023044 133.7
[M+NH4]+ 224.064143 153.1
[M+K]+ 244.993478 144.2
[M+H-H2O]+ 189.027580 128.4
[M+HCOO]- 251.028521 153.5
[M+CH3COO]- 265.044171 181.1
[M+Na-2H]- 227.004986 143.4
[M]+ 206.02977142 133.6
[M]- 206.03086858 133.6
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