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]+ 163.047756 127.3
[M+Na]+ 185.029698 137.5
[M-H]- 161.033204 124.8
[M+NH4]+ 180.074303 145.5
[M+K]+ 201.003638 135.2
[M+H-H2O]+ 145.037740 118.2
[M+HCOO]- 207.038681 145.3
[M+CH3COO]- 221.054331 177.5
[M+Na-2H]- 183.015146 135.3
[M]+ 162.03993142 123.4
[M]- 162.04102858 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.