CID 258545

2,4,6-trimethylbenzenesulfonamide

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N)C
InChI
InChI=1S/C9H13NO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKey
YECJUZIGFPJWGQ-UHFFFAOYSA-N
Compound name
2,4,6-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5326
Patents

199.0667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.073976 139.7
[M+Na]+ 222.055918 149.7
[M-H]- 198.059424 144.0
[M+NH4]+ 217.100523 159.7
[M+K]+ 238.029858 146.5
[M+H-H2O]+ 182.063960 134.5
[M+HCOO]- 244.064901 158.4
[M+CH3COO]- 258.080551 185.6
[M+Na-2H]- 220.041366 142.6
[M]+ 199.06615142 142.0
[M]- 199.06724858 142.0
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