CID 99139

40283-99-6

Structural Information

Molecular Formula
C10H13ClN2O3S3
SMILES
C1=CC(=CC=C1SCCN=C(CSS(=O)(=O)O)N)Cl
InChI
InChI=1S/C10H13ClN2O3S3/c11-8-1-3-9(4-2-8)17-6-5-13-10(12)7-18-19(14,15)16/h1-4H,5-7H2,(H2,12,13)(H,14,15,16)
InChIKey
FFDZEZLZHNZTBO-UHFFFAOYSA-N
Compound name
1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanyl]-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.9777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.98498 169.7
[M+Na]+ 362.96692 175.5
[M-H]- 338.97042 171.0
[M+NH4]+ 358.01152 182.9
[M+K]+ 378.94086 166.7
[M+H-H2O]+ 322.97496 163.8
[M+HCOO]- 384.97590 171.8
[M+CH3COO]- 398.99155 206.0
[M+Na-2H]- 360.95237 170.7
[M]+ 339.97715 171.8
[M]- 339.97825 171.8
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.