CID 126721783

Refchem:486857

Structural Information

Molecular Formula
C5HF2N3
SMILES
C1=C(N=C(C(=N1)C#N)F)F
InChI
InChI=1S/C5HF2N3/c6-4-2-9-3(1-8)5(7)10-4/h2H
InChIKey
HNPSQPYYMAFGHH-UHFFFAOYSA-N
Compound name
3,5-difluoropyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.01385 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.02113 116.3
[M+Na]+ 164.00307 128.2
[M-H]- 140.00657 114.7
[M+NH4]+ 159.04767 133.3
[M+K]+ 179.97701 126.1
[M+H-H2O]+ 124.01111 101.4
[M+HCOO]- 186.01205 133.9
[M+CH3COO]- 200.02770 186.6
[M+Na-2H]- 161.98852 124.0
[M]+ 141.01330 109.1
[M]- 141.01440 109.1
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

patents stripe