CID 2049187

4-butoxybenzenesulfonamide

Structural Information

Molecular Formula
C10H15NO3S
SMILES
CCCCOC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
InChIKey
GJCVWKPGGOMFQR-UHFFFAOYSA-N
Compound name
4-butoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

131
Patents

229.07727 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.084546 148.8
[M+Na]+ 252.066488 156.5
[M-H]- 228.069994 152.1
[M+NH4]+ 247.111093 166.9
[M+K]+ 268.040428 153.4
[M+H-H2O]+ 212.074530 142.6
[M+HCOO]- 274.075471 167.5
[M+CH3COO]- 288.091121 188.3
[M+Na-2H]- 250.051936 152.6
[M]+ 229.07672142 152.1
[M]- 229.07781858 152.1
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