CID 140146

1-phenylsulfonylpyrrole

Structural Information

Molecular Formula
C10H9NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2
InChI
InChI=1S/C10H9NO2S/c12-14(13,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-9H
InChIKey
PPPXRIUHKCOOMU-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

438
Patents

207.0354 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04268 142.9
[M+Na]+ 230.02462 152.9
[M-H]- 206.02812 149.3
[M+NH4]+ 225.06922 162.8
[M+K]+ 245.99856 149.5
[M+H-H2O]+ 190.03266 136.7
[M+HCOO]- 252.03360 162.5
[M+CH3COO]- 266.04925 179.2
[M+Na-2H]- 228.01007 147.9
[M]+ 207.03485 145.3
[M]- 207.03595 145.3
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