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

21
Patents

144.04991 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.057186 124.8
[M+Na]+ 167.039128 134.1
[M-H]- 143.042634 123.3
[M+NH4]+ 162.083733 143.6
[M+K]+ 183.013068 132.2
[M+H-H2O]+ 127.047170 116.6
[M+HCOO]- 189.048111 144.0
[M+CH3COO]- 203.063761 173.6
[M+Na-2H]- 165.024576 134.2
[M]+ 144.04936142 121.8
[M]- 144.05045858 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