CID 216071

37049-79-9

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₄S₂

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O4S2/c1-11-7-9-13(10-8-11)21(18,19)15-14-20(16,17)12-5-3-2-4-6-12/h2-10,14-15H,1H3

InChIKey

XUZFNRWJIVNRGV-UHFFFAOYSA-N

Compound name

N'-(benzenesulfonyl)-4-methylbenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 326.0395 Da
Monoisotopic Mass: 2.1
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]+	327.046776	171.2
[M+Na]+	349.028718	178.3
[M-H]-	325.032224	177.2
[M+NH4]+	344.073323	184.5
[M+K]+	365.002658	172.3
[M+H-H2O]+	309.036760	163.6
[M+HCOO]-	371.037701	185.3
[M+CH3COO]-	385.053351	204.4
[M+Na-2H]-	347.014166	177.7
[M]+	326.03895142	173.2
[M]-	326.04004858	173.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe