CID 104704

54179-49-6

Structural Information

Molecular Formula

C₁₁H₁₁NO₃S

SMILES

CS(=O)(=O)NC1=CC=CC2=C1C=CC=C2O

InChI

InChI=1S/C11H11NO3S/c1-16(14,15)12-10-6-2-5-9-8(10)4-3-7-11(9)13/h2-7,12-13H,1H3

InChIKey

YKCHZHCCPAEVIN-UHFFFAOYSA-N

Compound name

N-(5-hydroxynaphthalen-1-yl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 237.04596 Da
Monoisotopic Mass: 1.1
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]+	238.053236	147.1
[M+Na]+	260.035178	156.3
[M-H]-	236.038684	150.9
[M+NH4]+	255.079783	165.7
[M+K]+	276.009118	152.1
[M+H-H2O]+	220.043220	141.6
[M+HCOO]-	282.044161	164.6
[M+CH3COO]-	296.059811	188.2
[M+Na-2H]-	258.020626	154.3
[M]+	237.04541142	149.5
[M]-	237.04650858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe