CID 3021851

Brn 0586168

Structural Information

Molecular Formula
C12H24Cl4N4O4S2
SMILES
C1CN(CCN1S(=O)(=O)N(CCCl)CCCl)S(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C12H24Cl4N4O4S2/c13-1-5-17(6-2-14)25(21,22)19-9-11-20(12-10-19)26(23,24)18(7-3-15)8-4-16/h1-12H2
InChIKey
VXKHONPVMDKIAA-UHFFFAOYSA-N
Compound name
1-N,1-N,4-N,4-N-tetrakis(2-chloroethyl)piperazine-1,4-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.9993 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.00658 197.2
[M+Na]+ 514.98852 199.4
[M-H]- 490.99202 197.4
[M+NH4]+ 510.03312 204.3
[M+K]+ 530.96246 195.7
[M+H-H2O]+ 474.99656 192.5
[M+HCOO]- 536.99750 185.6
[M+CH3COO]- 551.01315 233.4
[M+Na-2H]- 512.97397 195.9
[M]+ 491.99875 201.6
[M]- 491.99985 201.6
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.