CID 46908593

5-(2-fluorophenyl)-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C11H8FNO
SMILES
C1=CC=C(C(=C1)C2=CC(=CN2)C=O)F
InChI
InChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-7,13H
InChIKey
MQULPEUCGKEHEG-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

189.05899 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06627 140.4
[M+Na]+ 212.04821 153.5
[M+NH4]+ 207.09281 148.4
[M+K]+ 228.02215 148.1
[M-H]- 188.05171 142.1
[M+Na-2H]- 210.03366 148.0
[M]+ 189.05844 142.6
[M]- 189.05954 142.6
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