CID 3032737

20975-42-2

Structural Information

Molecular Formula
C8H7ClINS2
SMILES
CSC(=S)NC1=CC(=C(C=C1)I)Cl
InChI
InChI=1S/C8H7ClINS2/c1-13-8(12)11-5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H,11,12)
InChIKey
GBHUJYGCJQAKGE-UHFFFAOYSA-N
Compound name
methyl N-(3-chloro-4-iodophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.8753 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.88258 152.9
[M+Na]+ 365.86452 155.0
[M-H]- 341.86802 150.0
[M+NH4]+ 360.90912 167.4
[M+K]+ 381.83846 154.5
[M+H-H2O]+ 325.87256 144.7
[M+HCOO]- 387.87350 157.5
[M+CH3COO]- 401.88915 197.1
[M+Na-2H]- 363.84997 141.7
[M]+ 342.87475 152.8
[M]- 342.87585 152.8
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.