CID 17888936

2-(trifluoromethyl)pyrazine

Structural Information

Molecular Formula
C5H3F3N2
SMILES
C1=CN=C(C=N1)C(F)(F)F
InChI
InChI=1S/C5H3F3N2/c6-5(7,8)4-3-9-1-2-10-4/h1-3H
InChIKey
CEAMSISEJZMQEP-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

702
Patents

148.02483 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03211 122.9
[M+Na]+ 171.01405 132.8
[M-H]- 147.01755 120.3
[M+NH4]+ 166.05865 141.5
[M+K]+ 186.98799 130.7
[M+H-H2O]+ 131.02209 113.9
[M+HCOO]- 193.02303 141.4
[M+CH3COO]- 207.03868 172.7
[M+Na-2H]- 168.99950 132.2
[M]+ 148.02428 118.3
[M]- 148.02538 118.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe