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

16
Patents

189.05899 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.066266 136.1
[M+Na]+ 212.048208 146.2
[M-H]- 188.051714 140.9
[M+NH4]+ 207.092813 156.3
[M+K]+ 228.022148 142.6
[M+H-H2O]+ 172.056250 128.3
[M+HCOO]- 234.057191 160.4
[M+CH3COO]- 248.072841 181.7
[M+Na-2H]- 210.033656 141.3
[M]+ 189.05844142 135.9
[M]- 189.05953858 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