CID 24689340

2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine

Structural Information

Molecular Formula
C6H4ClF3N2O
SMILES
C1=C(N=C(C=N1)Cl)OCC(F)(F)F
InChI
InChI=1S/C6H4ClF3N2O/c7-4-1-11-2-5(12-4)13-3-6(8,9)10/h1-2H,3H2
InChIKey
UCAZQUDLXKULAG-UHFFFAOYSA-N
Compound name
2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

211.99643 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.003706 134.6
[M+Na]+ 234.985648 145.5
[M-H]- 210.989154 131.9
[M+NH4]+ 230.030253 151.7
[M+K]+ 250.959588 141.8
[M+H-H2O]+ 194.993690 125.8
[M+HCOO]- 256.994631 148.3
[M+CH3COO]- 271.010281 182.6
[M+Na-2H]- 232.971096 142.3
[M]+ 211.99588142 134.0
[M]- 211.99697858 134.0
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