CID 1105883

211675-82-0

Structural Information

Molecular Formula

C₁₅H₁₄BrNO₂S

SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H14BrNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2

InChIKey

NNXXNQBMJZSBPH-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 1
Patents: 350.99286 Da
Monoisotopic Mass: 3.7
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]+	352.00014	155.4
[M+Na]+	373.98208	160.3
[M+NH4]+	369.02668	160.9
[M+K]+	389.95602	158.0
[M-H]-	349.98558	157.8
[M+Na-2H]-	371.96753	161.1
[M]+	350.99231	156.2
[M]-	350.99341	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe