CID 20361694

2-chloro-6-(trifluoromethyl)pyrazine

Structural Information

Molecular Formula
C5H2ClF3N2
SMILES
C1=C(N=C(C=N1)Cl)C(F)(F)F
InChI
InChI=1S/C5H2ClF3N2/c6-4-2-10-1-3(11-4)5(7,8)9/h1-2H
InChIKey
ZCRFOAFODJMVOG-UHFFFAOYSA-N
Compound name
2-chloro-6-(trifluoromethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

181.98586 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.99314 126.9
[M+Na]+ 204.97508 138.3
[M-H]- 180.97858 124.4
[M+NH4]+ 200.01968 145.3
[M+K]+ 220.94902 134.4
[M+H-H2O]+ 164.98312 118.5
[M+HCOO]- 226.98406 140.7
[M+CH3COO]- 240.99971 177.6
[M+Na-2H]- 202.96053 135.1
[M]+ 181.98531 124.5
[M]- 181.98641 124.5
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