CID 57066567

3-fluoropyrazine-2-carbaldehyde

Structural Information

Molecular Formula
C5H3FN2O
SMILES
C1=CN=C(C(=N1)C=O)F
InChI
InChI=1S/C5H3FN2O/c6-5-4(3-9)7-1-2-8-5/h1-3H
InChIKey
XVRMSFXTHCCTKS-UHFFFAOYSA-N
Compound name
3-fluoropyrazine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

126.02294 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03022 118.5
[M+Na]+ 149.01216 128.9
[M-H]- 125.01566 118.6
[M+NH4]+ 144.05676 138.1
[M+K]+ 164.98610 127.3
[M+H-H2O]+ 109.02020 111.0
[M+HCOO]- 171.02114 141.1
[M+CH3COO]- 185.03679 169.6
[M+Na-2H]- 146.99761 127.7
[M]+ 126.02239 118.0
[M]- 126.02349 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe