CID 165804607

1-(5-chloropyrazin-2-yl)-2,2,2-trifluoroethan-1-one

Structural Information

Molecular Formula
C6H2ClF3N2O
SMILES
C1=C(N=CC(=N1)Cl)C(=O)C(F)(F)F
InChI
InChI=1S/C6H2ClF3N2O/c7-4-2-11-3(1-12-4)5(13)6(8,9)10/h1-2H
InChIKey
SXJYJWGTCWSUMB-UHFFFAOYSA-N
Compound name
1-(5-chloropyrazin-2-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.98077 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98805 132.8
[M+Na]+ 232.96999 143.8
[M-H]- 208.97349 130.3
[M+NH4]+ 228.01459 149.8
[M+K]+ 248.94393 139.9
[M+H-H2O]+ 192.97803 124.3
[M+HCOO]- 254.97897 145.8
[M+CH3COO]- 268.99462 182.5
[M+Na-2H]- 230.95544 139.4
[M]+ 209.98022 131.0
[M]- 209.98132 131.0
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

No patent data available for this compound.