CID 76902

Benzenesulfonic acid, 3,3'-sulfonylbis-, dihydrazide

Structural Information

Molecular Formula
C12H14N4O6S3
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NN)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NN
InChI
InChI=1S/C12H14N4O6S3/c13-15-24(19,20)11-5-1-3-9(7-11)23(17,18)10-4-2-6-12(8-10)25(21,22)16-14/h1-8,15-16H,13-14H2
InChIKey
BLJHFERYMGMXSC-UHFFFAOYSA-N
Compound name
3-[3-(hydrazinesulfonyl)phenyl]sulfonylbenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2968
Patents

406.00754 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.01482 188.1
[M+Na]+ 428.99676 192.8
[M-H]- 405.00026 190.6
[M+NH4]+ 424.04136 195.6
[M+K]+ 444.97070 184.4
[M+H-H2O]+ 389.00480 179.4
[M+HCOO]- 451.00574 195.6
[M+CH3COO]- 465.02139 220.7
[M+Na-2H]- 426.98221 196.6
[M]+ 406.00699 185.8
[M]- 406.00809 185.8
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