CID 3161845

169036-71-9

Structural Information

Molecular Formula
C11H8FNO
SMILES
C1=CN(C(=C1)C=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H8FNO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H
InChIKey
JDANDWLVCIKGCA-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

189.05899 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06627 136.1
[M+Na]+ 212.04821 146.2
[M-H]- 188.05171 140.9
[M+NH4]+ 207.09281 156.3
[M+K]+ 228.02215 142.6
[M+H-H2O]+ 172.05625 128.3
[M+HCOO]- 234.05719 160.4
[M+CH3COO]- 248.07284 181.7
[M+Na-2H]- 210.03366 141.3
[M]+ 189.05844 135.9
[M]- 189.05954 135.9
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