CID 112756277

1603237-94-0

Structural Information

Molecular Formula
C5H3ClF2N2O
SMILES
C1=CN(C(=O)C(=N1)Cl)C(F)F
InChI
InChI=1S/C5H3ClF2N2O/c6-3-4(11)10(5(7)8)2-1-9-3/h1-2,5H
InChIKey
XMRFDVAMBVVXGQ-UHFFFAOYSA-N
Compound name
3-chloro-1-(difluoromethyl)pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.9902 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.99748 125.1
[M+Na]+ 202.97942 136.9
[M-H]- 178.98292 124.1
[M+NH4]+ 198.02402 143.7
[M+K]+ 218.95336 133.4
[M+H-H2O]+ 162.98746 117.5
[M+HCOO]- 224.98840 141.1
[M+CH3COO]- 239.00405 178.3
[M+Na-2H]- 200.96487 131.5
[M]+ 179.98965 125.1
[M]- 179.99075 125.1
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.