CID 148830402

4-fluoro-1h-pyrazole-5-carbaldehyde

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

12
Patents

114.02294 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.030216 116.1
[M+Na]+ 137.012158 126.4
[M-H]- 113.015664 115.0
[M+NH4]+ 132.056763 137.3
[M+K]+ 152.986098 124.5
[M+H-H2O]+ 97.020200 109.2
[M+HCOO]- 159.021141 138.3
[M+CH3COO]- 173.036791 164.0
[M+Na-2H]- 134.997606 122.8
[M]+ 114.02239142 114.0
[M]- 114.02348858 114.0
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