CID 6649

4,4'-oxybis(benzenesulfonyl hydrazide)

Structural Information

Molecular Formula
C12H14N4O5S2
SMILES
C1=CC(=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NN)S(=O)(=O)NN
InChI
InChI=1S/C12H14N4O5S2/c13-15-22(17,18)11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23(19,20)16-14/h1-8,15-16H,13-14H2
InChIKey
NBOCQTNZUPTTEI-UHFFFAOYSA-N
Compound name
4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

21595
Patents

358.04056 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.04784 174.1
[M+Na]+ 381.02978 179.8
[M-H]- 357.03328 178.7
[M+NH4]+ 376.07438 184.6
[M+K]+ 397.00372 173.9
[M+H-H2O]+ 341.03782 165.6
[M+HCOO]- 403.03876 188.9
[M+CH3COO]- 417.05441 214.8
[M+Na-2H]- 379.01523 181.0
[M]+ 358.04001 173.8
[M]- 358.04111 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe