CID 367384

Nsc637073

Structural Information

Molecular Formula

C₈H₁₂N₂O₄S₂

SMILES

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

InChI

InChI=1S/C8H12N2O4S2/c1-7-3-5-8(6-4-7)16(13,14)10-9-15(2,11)12/h3-6,9-10H,1-2H3

InChIKey

AOTFGEXNUYQSKI-UHFFFAOYSA-N

Compound name

4-methyl-N'-methylsulfonylbenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 264.02383 Da
Monoisotopic Mass: 0.5
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]+	265.03111	154.7
[M+Na]+	287.01305	162.2
[M-H]-	263.01655	157.9
[M+NH4]+	282.05765	170.7
[M+K]+	302.98699	157.6
[M+H-H2O]+	247.02109	148.2
[M+HCOO]-	309.02203	168.5
[M+CH3COO]-	323.03768	193.6
[M+Na-2H]-	284.99850	160.3
[M]+	264.02328	157.2
[M]-	264.02438	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe