CID 84660154

1-[4-(1h-pyrrol-2-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C12H11NO
SMILES
CC(=O)C1=CC=C(C=C1)C2=CC=CN2
InChI
InChI=1S/C12H11NO/c1-9(14)10-4-6-11(7-5-10)12-3-2-8-13-12/h2-8,13H,1H3
InChIKey
JHIGGEVXSYRAIE-UHFFFAOYSA-N
Compound name
1-[4-(1H-pyrrol-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 140.9
[M+Na]+ 208.07328 154.0
[M+NH4]+ 203.11788 149.4
[M+K]+ 224.04722 149.0
[M-H]- 184.07678 143.8
[M+Na-2H]- 206.05873 149.0
[M]+ 185.08351 143.5
[M]- 185.08461 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.