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]+ 300.982646 158.5
[M+Na]+ 322.964588 166.6
[M-H]- 298.968094 160.6
[M+NH4]+ 318.009193 172.5
[M+K]+ 338.938528 159.8
[M+H-H2O]+ 282.972630 153.0
[M+HCOO]- 344.973571 168.0
[M+CH3COO]- 358.989221 203.2
[M+Na-2H]- 320.950036 162.0
[M]+ 299.97482142 158.1
[M]- 299.97591858 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.