CID 12480

1-phenylpyrrole

Structural Information

Molecular Formula
C10H9N
SMILES
C1=CC=C(C=C1)N2C=CC=C2
InChI
InChI=1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H
InChIKey
GEZGAZKEOUKLBR-UHFFFAOYSA-N
Compound name
1-phenylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

15470
Patents

143.0735 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08078 127.1
[M+Na]+ 166.06272 135.5
[M-H]- 142.06622 132.6
[M+NH4]+ 161.10732 148.8
[M+K]+ 182.03666 132.7
[M+H-H2O]+ 126.07076 120.1
[M+HCOO]- 188.07170 152.4
[M+CH3COO]- 202.08735 141.7
[M+Na-2H]- 164.04817 134.9
[M]+ 143.07295 126.1
[M]- 143.07405 126.1
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