CID 56965594

2-bromo-5-(trifluoromethyl)pyrazine

Structural Information

Molecular Formula
C5H2BrF3N2
SMILES
C1=C(N=CC(=N1)Br)C(F)(F)F
InChI
InChI=1S/C5H2BrF3N2/c6-4-2-10-3(1-11-4)5(7,8)9/h1-2H
InChIKey
NMRATCPZBXTQLV-UHFFFAOYSA-N
Compound name
2-bromo-5-(trifluoromethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

225.93535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.94263 135.4
[M+Na]+ 248.92457 149.2
[M-H]- 224.92807 136.1
[M+NH4]+ 243.96917 155.0
[M+K]+ 264.89851 138.0
[M+H-H2O]+ 208.93261 133.0
[M+HCOO]- 270.93355 151.8
[M+CH3COO]- 284.94920 184.2
[M+Na-2H]- 246.91002 144.7
[M]+ 225.93480 150.0
[M]- 225.93590 150.0
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