CID 24839928

Brn 2293969

Structural Information

Molecular Formula
C9H17Cl2N3O4S
SMILES
C/C(=N\NS(=O)(=O)N(CCCl)CCCl)/CCC(=O)O
InChI
InChI=1S/C9H17Cl2N3O4S/c1-8(2-3-9(15)16)12-13-19(17,18)14(6-4-10)7-5-11/h13H,2-7H2,1H3,(H,15,16)/b12-8+
InChIKey
AHPNIEOGXPHJNF-XYOKQWHBSA-N
Compound name
(4E)-4-[bis(2-chloroethyl)sulfamoylhydrazinylidene]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.03168 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.03896 169.7
[M+Na]+ 356.02090 174.3
[M-H]- 332.02440 170.7
[M+NH4]+ 351.06550 184.5
[M+K]+ 371.99484 170.8
[M+H-H2O]+ 316.02894 165.3
[M+HCOO]- 378.02988 179.2
[M+CH3COO]- 392.04553 212.1
[M+Na-2H]- 354.00635 170.4
[M]+ 333.03113 176.6
[M]- 333.03223 176.6
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.