CID 56841322

N,n'-bis(4-hydroxyphenyl)thioperoxydicarbamic acid

Structural Information

Molecular Formula
C14H12N2O2S4
SMILES
C1=CC(=CC=C1NC(=S)SSC(=S)NC2=CC=C(C=C2)O)O
InChI
InChI=1S/C14H12N2O2S4/c17-11-5-1-9(2-6-11)15-13(19)21-22-14(20)16-10-3-7-12(18)8-4-10/h1-8,17-18H,(H,15,19)(H,16,20)
InChIKey
FIDGBUGKYTUELU-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)carbamothioylsulfanyl N-(4-hydroxyphenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.97815 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.98543 174.7
[M+Na]+ 390.96737 179.5
[M-H]- 366.97087 174.8
[M+NH4]+ 386.01197 184.4
[M+K]+ 406.94131 166.9
[M+H-H2O]+ 350.97541 167.6
[M+HCOO]- 412.97635 173.2
[M+CH3COO]- 426.99200 180.5
[M+Na-2H]- 388.95282 176.2
[M]+ 367.97760 169.4
[M]- 367.97870 169.4
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.