CID 2759207

680618-20-6

Structural Information

Molecular Formula

C₁₁H₈ClNO₃S

SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)Cl)C(=C1)NC=O

InChI

InChI=1S/C11H8ClNO3S/c12-17(15,16)11-6-2-3-8-9(11)4-1-5-10(8)13-7-14/h1-7H,(H,13,14)

InChIKey

CINVSSZEEOERHL-UHFFFAOYSA-N

Compound name

5-formamidonaphthalene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 268.99133 Da
Monoisotopic Mass: 2.4
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]+	269.99861	154.4
[M+Na]+	291.98055	167.9
[M+NH4]+	287.02515	162.8
[M+K]+	307.95449	159.1
[M-H]-	267.98405	156.5
[M+Na-2H]-	289.96600	161.0
[M]+	268.99078	157.7
[M]-	268.99188	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe