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

247
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 136.6
[M+Na]+ 212.04821 146.3
[M-H]- 188.05171 140.1
[M+NH4]+ 207.09281 156.2
[M+K]+ 228.02215 141.8
[M+H-H2O]+ 172.05625 129.1
[M+HCOO]- 234.05719 159.5
[M+CH3COO]- 248.07284 179.0
[M+Na-2H]- 210.03366 141.4
[M]+ 189.05844 134.6
[M]- 189.05954 134.6
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