CID 456830

42933-52-8

Structural Information

Molecular Formula
C12H14N4O4S2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)NN)S(=O)(=O)NN
InChI
InChI=1S/C12H14N4O4S2/c13-15-21(17,18)11-5-1-9(2-6-11)10-3-7-12(8-4-10)22(19,20)16-14/h1-8,15-16H,13-14H2
InChIKey
MEGPABLQKHUFKS-UHFFFAOYSA-N
Compound name
4-[4-(hydrazinesulfonyl)phenyl]benzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

342.04565 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05293 171.6
[M+Na]+ 365.03487 177.7
[M-H]- 341.03837 176.2
[M+NH4]+ 360.07947 182.8
[M+K]+ 381.00881 171.1
[M+H-H2O]+ 325.04291 163.3
[M+HCOO]- 387.04385 186.2
[M+CH3COO]- 401.05950 212.4
[M+Na-2H]- 363.02032 177.9
[M]+ 342.04510 169.9
[M]- 342.04620 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe