CID 222871

2,5-dimethylbenzenesulfonamide

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CC1=CC(=C(C=C1)C)S(=O)(=O)N
InChI
InChI=1S/C8H11NO2S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKey
STZQAGJQPZCAED-UHFFFAOYSA-N
Compound name
2,5-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

110
Patents

185.05106 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.058336 135.9
[M+Na]+ 208.040278 145.5
[M-H]- 184.043784 140.0
[M+NH4]+ 203.084883 156.2
[M+K]+ 224.014218 142.5
[M+H-H2O]+ 168.048320 130.6
[M+HCOO]- 230.049261 155.0
[M+CH3COO]- 244.064911 181.3
[M+Na-2H]- 206.025726 139.9
[M]+ 185.05051142 137.5
[M]- 185.05160858 137.5
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