CID 226310

4-(1h-pyrrol-1-yl)benzenesulfonamide

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C10H10N2O2S/c11-15(13,14)10-5-3-9(4-6-10)12-7-1-2-8-12/h1-8H,(H2,11,13,14)
InChIKey
HEROWGICZZJWKP-UHFFFAOYSA-N
Compound name
4-pyrrol-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

303
Patents

222.0463 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.053576 146.5
[M+Na]+ 245.035518 156.2
[M-H]- 221.039024 152.5
[M+NH4]+ 240.080123 165.3
[M+K]+ 261.009458 152.2
[M+H-H2O]+ 205.043560 140.0
[M+HCOO]- 267.044501 166.3
[M+CH3COO]- 281.060151 184.5
[M+Na-2H]- 243.020966 150.5
[M]+ 222.04575142 147.5
[M]- 222.04684858 147.5
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