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

13
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 116.1
[M+Na]+ 137.01216 126.4
[M-H]- 113.01566 115.0
[M+NH4]+ 132.05676 137.3
[M+K]+ 152.98610 124.5
[M+H-H2O]+ 97.020200 109.2
[M+HCOO]- 159.02114 138.3
[M+CH3COO]- 173.03679 164.0
[M+Na-2H]- 134.99761 122.8
[M]+ 114.02239 114.0
[M]- 114.02349 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