CID 86176513

156359-40-9

Structural Information

Molecular Formula

C₁₁H₁₅NO₃S

SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C=O

InChI

InChI=1S/C11H15NO3S/c1-11(2,3)12-16(14,15)10-7-5-4-6-9(10)8-13/h4-8,12H,1-3H3

InChIKey

HWGAMVQZOWQLDL-UHFFFAOYSA-N

Compound name

N-tert-butyl-2-formylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 241.07727 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.084546	152.3
[M+Na]+	264.066488	160.2
[M-H]-	240.069994	156.3
[M+NH4]+	259.111093	170.2
[M+K]+	280.040428	157.2
[M+H-H2O]+	224.074530	146.6
[M+HCOO]-	286.075471	169.9
[M+CH3COO]-	300.091121	190.8
[M+Na-2H]-	262.051936	157.7
[M]+	241.07672142	155.7
[M]-	241.07781858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe