CID 54595610

2-chloro-6-(4-fluorophenyl)pyrazine

Structural Information

Molecular Formula
C10H6ClFN2
SMILES
C1=CC(=CC=C1C2=CN=CC(=N2)Cl)F
InChI
InChI=1S/C10H6ClFN2/c11-10-6-13-5-9(14-10)7-1-3-8(12)4-2-7/h1-6H
InChIKey
QPCFEOIGFLYWAH-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-fluorophenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

208.02036 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02764 138.5
[M+Na]+ 231.00958 149.6
[M-H]- 207.01308 141.4
[M+NH4]+ 226.05418 155.6
[M+K]+ 246.98352 143.9
[M+H-H2O]+ 191.01762 129.8
[M+HCOO]- 253.01856 155.7
[M+CH3COO]- 267.03421 151.7
[M+Na-2H]- 228.99503 146.4
[M]+ 208.01981 138.8
[M]- 208.02091 138.8
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