CID 2773234

3-benzoylpyrrole

Structural Information

Molecular Formula
C11H9NO
SMILES
C1=CC=C(C=C1)C(=O)C2=CNC=C2
InChI
InChI=1S/C11H9NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-8,12H
InChIKey
DSNSKSWTLGZGAN-UHFFFAOYSA-N
Compound name
phenyl(1H-pyrrol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

171.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 135.2
[M+Na]+ 194.057638 142.7
[M-H]- 170.061144 139.4
[M+NH4]+ 189.102243 154.9
[M+K]+ 210.031578 139.1
[M+H-H2O]+ 154.065680 128.3
[M+HCOO]- 216.066621 158.1
[M+CH3COO]- 230.082271 175.0
[M+Na-2H]- 192.043086 140.7
[M]+ 171.06787142 132.8
[M]- 171.06896858 132.8
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

patents stripe