CID 112953

62778-24-9

Structural Information

Molecular Formula

C₁₇H₁₄ClNO₂S

SMILES

CC1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)Cl

InChI

InChI=1S/C17H14ClNO2S/c1-12-2-6-15(7-3-12)19-16-8-4-14-11-17(22(18,20)21)9-5-13(14)10-16/h2-11,19H,1H3

InChIKey

NONZPGMJWHNDKP-UHFFFAOYSA-N

Compound name

6-(4-methylanilino)naphthalene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 28
Patents: 331.04337 Da
Monoisotopic Mass: 5.1
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]+	332.05065	173.2
[M+Na]+	354.03259	189.4
[M+NH4]+	349.07719	182.8
[M+K]+	370.00653	178.4
[M-H]-	330.03609	178.9
[M+Na-2H]-	352.01804	182.9
[M]+	331.04282	178.2
[M]-	331.04392	178.2

Literature stripe

literature stripe

Patent stripe

patents stripe