CID 19763564

2-(1,1-difluoroethyl)pyrazine

Structural Information

Molecular Formula
C6H6F2N2
SMILES
CC(C1=NC=CN=C1)(F)F
InChI
InChI=1S/C6H6F2N2/c1-6(7,8)5-4-9-2-3-10-5/h2-4H,1H3
InChIKey
OXKFWGSACYGCSY-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

144.04991 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05719 124.8
[M+Na]+ 167.03913 134.1
[M-H]- 143.04263 123.3
[M+NH4]+ 162.08373 143.6
[M+K]+ 183.01307 132.2
[M+H-H2O]+ 127.04717 116.6
[M+HCOO]- 189.04811 144.0
[M+CH3COO]- 203.06376 173.6
[M+Na-2H]- 165.02458 134.2
[M]+ 144.04936 121.8
[M]- 144.05046 121.8
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