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 168.5
[M+Na]+ 389.90899 168.1
[M-H]- 365.91249 164.7
[M+NH4]+ 384.95359 180.7
[M+K]+ 405.88293 169.3
[M+H-H2O]+ 349.91703 158.1
[M+HCOO]- 411.91797 176.1
[M+CH3COO]- 425.93362 200.6
[M+Na-2H]- 387.89444 156.1
[M]+ 366.91922 168.1
[M]- 366.92032 168.1
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

No patent data available for this compound.