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

240
Patents

189.05899 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.066266 136.6
[M+Na]+ 212.048208 146.3
[M-H]- 188.051714 140.1
[M+NH4]+ 207.092813 156.2
[M+K]+ 228.022148 141.8
[M+H-H2O]+ 172.056250 129.1
[M+HCOO]- 234.057191 159.5
[M+CH3COO]- 248.072841 179.0
[M+Na-2H]- 210.033656 141.4
[M]+ 189.05844142 134.6
[M]- 189.05953858 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