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 139.5
[M+Na]+ 208.07328 147.5
[M-H]- 184.07678 143.9
[M+NH4]+ 203.11788 158.9
[M+K]+ 224.04722 143.6
[M+H-H2O]+ 168.08132 132.6
[M+HCOO]- 230.08226 162.0
[M+CH3COO]- 244.09791 179.1
[M+Na-2H]- 206.05873 143.8
[M]+ 185.08351 137.8
[M]- 185.08461 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.