CID 177801948

2-(1,1-difluoroethyl)-3-fluoropyrazine

Structural Information

Molecular Formula
C6H5F3N2
SMILES
CC(C1=NC=CN=C1F)(F)F
InChI
InChI=1S/C6H5F3N2/c1-6(8,9)4-5(7)11-3-2-10-4/h2-3H,1H3
InChIKey
OSZGKYWDHIAKOC-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)-3-fluoropyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.04776 127.3
[M+Na]+ 185.02970 137.5
[M-H]- 161.03320 124.8
[M+NH4]+ 180.07430 145.5
[M+K]+ 201.00364 135.2
[M+H-H2O]+ 145.03774 118.2
[M+HCOO]- 207.03868 145.3
[M+CH3COO]- 221.05433 177.5
[M+Na-2H]- 183.01515 135.3
[M]+ 162.03993 123.4
[M]- 162.04103 123.4
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.