CID 464785

173908-24-2

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₄S

SMILES

C1=CC=C2C(=C1)C=CN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O4S/c17-16(18)13-7-3-4-8-14(13)21(19,20)15-10-9-11-5-1-2-6-12(11)15/h1-10H

InChIKey

HUQBHLJAJLUOMR-UHFFFAOYSA-N

Compound name

1-(2-nitrophenyl)sulfonylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 302.03613 Da
Monoisotopic Mass: 3.1
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]+	303.04341	165.3
[M+Na]+	325.02535	174.7
[M-H]-	301.02885	173.0
[M+NH4]+	320.06995	181.2
[M+K]+	340.99929	166.1
[M+H-H2O]+	285.03339	162.6
[M+HCOO]-	347.03433	185.4
[M+CH3COO]-	361.04998	192.1
[M+Na-2H]-	323.01080	173.6
[M]+	302.03558	167.9
[M]-	302.03668	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe