CID 1781966

17304-59-5

Structural Information

Molecular Formula
C6H7NO3S2
SMILES
C1=CC(=CC=C1N)SS(=O)(=O)O
InChI
InChI=1S/C6H7NO3S2/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,7H2,(H,8,9,10)
InChIKey
WVTDQUZASXFHMT-UHFFFAOYSA-N
Compound name
1-amino-4-sulfosulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

204.98674 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.99402 138.5
[M+Na]+ 227.97596 147.1
[M-H]- 203.97946 140.4
[M+NH4]+ 223.02056 156.7
[M+K]+ 243.94990 142.1
[M+H-H2O]+ 187.98400 133.0
[M+HCOO]- 249.98494 151.0
[M+CH3COO]- 264.00059 178.7
[M+Na-2H]- 225.96141 141.8
[M]+ 204.98619 139.1
[M]- 204.98729 139.1
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

patents stripe