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]+ 186.091336 139.5
[M+Na]+ 208.073278 147.5
[M-H]- 184.076784 143.9
[M+NH4]+ 203.117883 158.9
[M+K]+ 224.047218 143.6
[M+H-H2O]+ 168.081320 132.6
[M+HCOO]- 230.082261 162.0
[M+CH3COO]- 244.097911 179.1
[M+Na-2H]- 206.058726 143.8
[M]+ 185.08351142 137.8
[M]- 185.08460858 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.