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 150.4
[M+Na]+ 331.90350 151.2
[M-H]- 307.90700 147.0
[M+NH4]+ 326.94810 165.1
[M+K]+ 347.87744 152.2
[M+H-H2O]+ 291.91154 140.8
[M+HCOO]- 353.91248 159.1
[M+CH3COO]- 367.92813 192.6
[M+Na-2H]- 329.88895 139.7
[M]+ 308.91373 148.2
[M]- 308.91483 148.2
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.