CID 99145

40283-97-4

Structural Information

Molecular Formula
C10H14N2O3S3
SMILES
C1=CC=C(C=C1)SCCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C10H14N2O3S3/c11-10(8-17-18(13,14)15)12-6-7-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,11,12)(H,13,14,15)
InChIKey
VOLFUPQSGZPFLV-UHFFFAOYSA-N
Compound name
2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.01666 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.02394 165.4
[M+Na]+ 329.00588 170.3
[M-H]- 305.00938 166.0
[M+NH4]+ 324.05048 178.8
[M+K]+ 344.97982 162.5
[M+H-H2O]+ 289.01392 157.8
[M+HCOO]- 351.01486 171.8
[M+CH3COO]- 365.03051 201.4
[M+Na-2H]- 326.99133 167.1
[M]+ 306.01611 165.4
[M]- 306.01721 165.4
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.