CID 640087

17639-64-4

Structural Information

Molecular Formula
C11H11NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2
InChI
InChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3
InChIKey
OXWIEWFMRVJGNY-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

290
Patents

221.05106 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.058336 147.0
[M+Na]+ 244.040278 157.3
[M-H]- 220.043784 153.5
[M+NH4]+ 239.084883 166.6
[M+K]+ 260.014218 153.7
[M+H-H2O]+ 204.048320 140.7
[M+HCOO]- 266.049261 166.2
[M+CH3COO]- 280.064911 183.3
[M+Na-2H]- 242.025726 150.8
[M]+ 221.05051142 150.1
[M]- 221.05160858 150.1
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