CID 89309519

Ethyl 2-(5-chloropyrazin-2-yl)-2,2-difluoroacetate

Structural Information

Molecular Formula
C8H7ClF2N2O2
SMILES
CCOC(=O)C(C1=CN=C(C=N1)Cl)(F)F
InChI
InChI=1S/C8H7ClF2N2O2/c1-2-15-7(14)8(10,11)5-3-13-6(9)4-12-5/h3-4H,2H2,1H3
InChIKey
PGTRFFXFJGOKJS-UHFFFAOYSA-N
Compound name
ethyl 2-(5-chloropyrazin-2-yl)-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

236.01642 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02370 142.9
[M+Na]+ 259.00564 152.9
[M-H]- 235.00914 141.5
[M+NH4]+ 254.05024 158.9
[M+K]+ 274.97958 149.5
[M+H-H2O]+ 219.01368 134.8
[M+HCOO]- 281.01462 156.5
[M+CH3COO]- 295.03027 187.7
[M+Na-2H]- 256.99109 149.0
[M]+ 236.01587 144.4
[M]- 236.01697 144.4
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.