CID 19815976

132390-68-2

Structural Information

Molecular Formula

C₉H₁₁NO₃S

SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C=O

InChI

InChI=1S/C9H11NO3S/c1-10(2)14(12,13)9-5-3-4-8(6-9)7-11/h3-7H,1-2H3

InChIKey

VHANLUOARPNVIY-UHFFFAOYSA-N

Compound name

3-formyl-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 213.04596 Da
Monoisotopic Mass: 0.8
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]+	214.053236	142.3
[M+Na]+	236.035178	150.9
[M-H]-	212.038684	148.0
[M+NH4]+	231.079783	161.9
[M+K]+	252.009118	149.3
[M+H-H2O]+	196.043220	136.3
[M+HCOO]-	258.044161	162.6
[M+CH3COO]-	272.059811	188.4
[M+Na-2H]-	234.020626	147.1
[M]+	213.04541142	146.9
[M]-	213.04650858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe