CID 765814

N-(tert-butyl)-2-thiophenesulfonamide

Structural Information

Molecular Formula
C8H13NO2S2
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=CS1
InChI
InChI=1S/C8H13NO2S2/c1-8(2,3)9-13(10,11)7-5-4-6-12-7/h4-6,9H,1-3H3
InChIKey
CLKMBGGZGFULOO-UHFFFAOYSA-N
Compound name
N-tert-butylthiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

92
Patents

219.03877 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04605 149.1
[M+Na]+ 242.02799 157.5
[M-H]- 218.03149 152.8
[M+NH4]+ 237.07259 169.7
[M+K]+ 258.00193 154.0
[M+H-H2O]+ 202.03603 144.1
[M+HCOO]- 264.03697 162.3
[M+CH3COO]- 278.05262 184.3
[M+Na-2H]- 240.01344 151.9
[M]+ 219.03822 151.9
[M]- 219.03932 151.9
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