CID 3680406

80866-78-0

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂S

SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC#N

InChI

InChI=1S/C12H10N2O2S/c13-7-8-14-17(15,16)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,14H,8H2

InChIKey

LYVFXZINMYKUIK-UHFFFAOYSA-N

Compound name

N-(cyanomethyl)naphthalene-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 246.0463 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]+	247.053576	163.2
[M+Na]+	269.035518	174.1
[M-H]-	245.039024	167.5
[M+NH4]+	264.080123	179.9
[M+K]+	285.009458	168.6
[M+H-H2O]+	229.043560	150.8
[M+HCOO]-	291.044501	178.1
[M+CH3COO]-	305.060151	202.8
[M+Na-2H]-	267.020966	169.1
[M]+	246.04575142	160.3
[M]-	246.04684858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe