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 137.5
[M+Na]+ 229.01954 146.9
[M-H]- 205.02304 133.7
[M+NH4]+ 224.06414 153.1
[M+K]+ 244.99348 144.2
[M+H-H2O]+ 189.02758 128.4
[M+HCOO]- 251.02852 153.5
[M+CH3COO]- 265.04417 181.1
[M+Na-2H]- 227.00499 143.4
[M]+ 206.02977 133.6
[M]- 206.03087 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

No patent data available for this compound.