CID 5010528

N-(4-bromobenzylidene)-p-toluenesulfonamide

Structural Information

Molecular Formula

C₁₄H₁₂BrNO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H12BrNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3

InChIKey

PQUIUBJMRRZMDV-UHFFFAOYSA-N

Compound name

N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 336.9772 Da
Monoisotopic Mass: 3.8
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]+	337.98448	158.2
[M+Na]+	359.96642	170.7
[M-H]-	335.96992	169.2
[M+NH4]+	355.01102	176.8
[M+K]+	375.94036	157.8
[M+H-H2O]+	319.97446	157.2
[M+HCOO]-	381.97540	177.1
[M+CH3COO]-	395.99105	205.7
[M+Na-2H]-	357.95187	165.2
[M]+	336.97665	180.0
[M]-	336.97775	180.0

Literature stripe

literature stripe

Patent stripe

patents stripe