CID 3024577

2-acridinesulfonic acid

Structural Information

Molecular Formula

C₁₃H₉NO₃S

SMILES

C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)S(=O)(=O)O

InChI

InChI=1S/C13H9NO3S/c15-18(16,17)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-8H,(H,15,16,17)

InChIKey

VPDHPIXLWQMFFQ-UHFFFAOYSA-N

Compound name

acridine-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 259.0303 Da
Monoisotopic Mass: 2.0
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]+	260.037576	152.5
[M+Na]+	282.019518	164.2
[M-H]-	258.023024	156.3
[M+NH4]+	277.064123	170.1
[M+K]+	297.993458	158.9
[M+H-H2O]+	242.027560	146.2
[M+HCOO]-	304.028501	168.4
[M+CH3COO]-	318.044151	165.3
[M+Na-2H]-	280.004966	162.4
[M]+	259.02975142	157.0
[M]-	259.03084858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe