CID 12354987

N-benzylsulfamide

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

C1=CC=C(C=C1)CNS(=O)(=O)N

InChI

InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)

InChIKey

SYKLNLIUTCAYCR-UHFFFAOYSA-N

Compound name

(sulfamoylamino)methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1745
Patents: 186.0463 Da
Monoisotopic Mass: 1.0
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]+	187.05358	137.0
[M+Na]+	209.03552	146.6
[M+NH4]+	204.08012	144.7
[M+K]+	225.00946	140.1
[M-H]-	185.03902	138.7
[M+Na-2H]-	207.02097	143.0
[M]+	186.04575	139.1
[M]-	186.04685	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe