CID 57678654

4-(methoxymethyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C8H11NO3S
SMILES
COCC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C8H11NO3S/c1-12-6-7-2-4-8(5-3-7)13(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
InChIKey
MRIGYPXUXUWBPQ-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

201.04596 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05324 139.8
[M+Na]+ 224.03518 148.4
[M-H]- 200.03868 143.5
[M+NH4]+ 219.07978 159.1
[M+K]+ 240.00912 145.8
[M+H-H2O]+ 184.04322 134.1
[M+HCOO]- 246.04416 159.2
[M+CH3COO]- 260.05981 182.2
[M+Na-2H]- 222.02063 144.6
[M]+ 201.04541 142.4
[M]- 201.04651 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe