CID 119085049

5-fluoropyrimidine-4-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

126.02294 Da
Monoisotopic Mass

0.1
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

No literature data available for this compound.

Patent stripe

patents stripe