CID 18987645

2-chloro-5-(trifluoromethyl)pyrazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

772
Patents

181.98586 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.993136 126.9
[M+Na]+ 204.975078 138.3
[M-H]- 180.978584 124.4
[M+NH4]+ 200.019683 145.3
[M+K]+ 220.949018 134.4
[M+H-H2O]+ 164.983120 118.5
[M+HCOO]- 226.984061 140.7
[M+CH3COO]- 240.999711 177.6
[M+Na-2H]- 202.960526 135.1
[M]+ 181.98531142 124.5
[M]- 181.98640858 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