CID 72898

2-phenyl-1h-pyrrole

Structural Information

Molecular Formula
C10H9N
SMILES
C1=CC=C(C=C1)C2=CC=CN2
InChI
InChI=1S/C10H9N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8,11H
InChIKey
IRTLROCMFSDSNF-UHFFFAOYSA-N
Compound name
2-phenyl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

10768
Patents

143.0735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08078 127.6
[M+Na]+ 166.06272 135.6
[M-H]- 142.06622 131.8
[M+NH4]+ 161.10732 148.6
[M+K]+ 182.03666 131.9
[M+H-H2O]+ 126.07076 120.9
[M+HCOO]- 188.07170 151.4
[M+CH3COO]- 202.08735 141.5
[M+Na-2H]- 164.04817 134.9
[M]+ 143.07295 124.7
[M]- 143.07405 124.7
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