CID 6628

80-11-5

Structural Information

Molecular Formula

C₈H₁₀N₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)N=O

InChI

InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3

InChIKey

FFKZOUIEAHOBHW-UHFFFAOYSA-N

Compound name

N,4-dimethyl-N-nitrosobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 18
References: 2301
Patents: 214.04121 Da
Monoisotopic Mass: 0.6
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]+	215.04849	144.3
[M+Na]+	237.03043	154.6
[M+NH4]+	232.07503	151.7
[M+K]+	253.00437	148.4
[M-H]-	213.03393	146.3
[M+Na-2H]-	235.01588	150.6
[M]+	214.04066	146.6
[M]-	214.04176	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe