CID 148830402

1211535-78-2

Structural Information

Molecular Formula
C4H3FN2O
SMILES
C1=NNC(=C1F)C=O
InChI
InChI=1S/C4H3FN2O/c5-3-1-6-7-4(3)2-8/h1-2H,(H,6,7)
InChIKey
OTOKDSJETIWDLK-UHFFFAOYSA-N
Compound name
4-fluoro-1H-pyrazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

114.02294 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03022 119.3
[M+Na]+ 137.01216 130.1
[M+NH4]+ 132.05676 126.2
[M+K]+ 152.98610 126.9
[M-H]- 113.01566 117.3
[M+Na-2H]- 134.99761 124.2
[M]+ 114.02239 119.8
[M]- 114.02349 119.8
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