CID 165753272

2-chloro-5-(2-fluoropropan-2-yl)pyrazine

Structural Information

Molecular Formula
C7H8ClFN2
SMILES
CC(C)(C1=CN=C(C=N1)Cl)F
InChI
InChI=1S/C7H8ClFN2/c1-7(2,9)5-3-11-6(8)4-10-5/h3-4H,1-2H3
InChIKey
CKNRHYCIKAHFGE-UHFFFAOYSA-N
Compound name
2-chloro-5-(2-fluoropropan-2-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.03601 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.04329 131.8
[M+Na]+ 197.02523 142.2
[M-H]- 173.02873 131.6
[M+NH4]+ 192.06983 150.6
[M+K]+ 212.99917 138.6
[M+H-H2O]+ 157.03327 125.0
[M+HCOO]- 219.03421 147.0
[M+CH3COO]- 233.04986 178.8
[M+Na-2H]- 195.01068 140.0
[M]+ 174.03546 132.5
[M]- 174.03656 132.5
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

No patent data available for this compound.