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

4
Patents

211.99643 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00371 134.6
[M+Na]+ 234.98565 145.5
[M-H]- 210.98915 131.9
[M+NH4]+ 230.03025 151.7
[M+K]+ 250.95959 141.8
[M+H-H2O]+ 194.99369 125.8
[M+HCOO]- 256.99463 148.3
[M+CH3COO]- 271.01028 182.6
[M+Na-2H]- 232.97110 142.3
[M]+ 211.99588 134.0
[M]- 211.99698 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