CID 101821

644-59-7

Structural Information

Molecular Formula
C6H9ClN4O4S2
SMILES
C1=C(C=C(C(=C1NN)Cl)S(=O)(=O)N)S(=O)(=O)N
InChI
InChI=1S/C6H9ClN4O4S2/c7-6-4(11-8)1-3(16(9,12)13)2-5(6)17(10,14)15/h1-2,11H,8H2,(H2,9,12,13)(H2,10,14,15)
InChIKey
LYXKZPRZTAOOHD-UHFFFAOYSA-N
Compound name
4-chloro-5-hydrazinylbenzene-1,3-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.97537 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98265 158.5
[M+Na]+ 322.96459 166.6
[M-H]- 298.96809 160.6
[M+NH4]+ 318.00919 172.5
[M+K]+ 338.93853 159.8
[M+H-H2O]+ 282.97263 153.0
[M+HCOO]- 344.97357 168.0
[M+CH3COO]- 358.98922 203.2
[M+Na-2H]- 320.95004 162.0
[M]+ 299.97482 158.1
[M]- 299.97592 158.1
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

No patent data available for this compound.