CID 3032702

Carbonic acid, thio-, anhydrosulfide with p-iododithiocarbanilic acid, ethyl ester

Structural Information

Molecular Formula
C10H10INO2S2
SMILES
CCOC(=O)SC(=S)NC1=CC=C(C=C1)I
InChI
InChI=1S/C10H10INO2S2/c1-2-14-10(13)16-9(15)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,15)
InChIKey
MWUCDXOXLXJOPI-UHFFFAOYSA-N
Compound name
ethyl (4-iodophenyl)carbamothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.91977 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.92705 169.0
[M+Na]+ 389.90899 171.0
[M+NH4]+ 384.95359 172.4
[M+K]+ 405.88293 165.1
[M-H]- 365.91249 164.6
[M+Na-2H]- 387.89444 160.4
[M]+ 366.91922 167.7
[M]- 366.92032 167.7
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.