CID 82418971

4-fluoro-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C5H4FNO
SMILES
C1=C(NC=C1F)C=O
InChI
InChI=1S/C5H4FNO/c6-4-1-5(3-8)7-2-4/h1-3,7H
InChIKey
TWEVFIDOBCXAMU-UHFFFAOYSA-N
Compound name
4-fluoro-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.027695 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.034971 116.3
[M+Na]+ 136.016913 126.2
[M-H]- 112.020419 116.5
[M+NH4]+ 131.061518 138.9
[M+K]+ 151.990853 124.1
[M+H-H2O]+ 96.024955 110.2
[M+HCOO]- 158.025896 139.5
[M+CH3COO]- 172.041546 164.2
[M+Na-2H]- 134.002361 122.6
[M]+ 113.02714642 114.0
[M]- 113.02824358 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

No patent data available for this compound.