CID 3032751

P-iododithiocarbanilic acid methyl ester

Structural Information

Molecular Formula
C8H8INS2
SMILES
CSC(=S)NC1=CC=C(C=C1)I
InChI
InChI=1S/C8H8INS2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
InChIKey
BZOKRUHPZOMXMX-UHFFFAOYSA-N
Compound name
methyl N-(4-iodophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.91428 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.92156 151.4
[M+Na]+ 331.90350 155.1
[M+NH4]+ 326.94810 156.6
[M+K]+ 347.87744 148.2
[M-H]- 307.90700 148.6
[M+Na-2H]- 329.88895 144.7
[M]+ 308.91373 151.0
[M]- 308.91483 151.0
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.