CID 3032738

Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester

Structural Information

Molecular Formula
C9H9ClINS2
SMILES
CCSC(=S)NC1=CC(=C(C=C1)I)Cl
InChI
InChI=1S/C9H9ClINS2/c1-2-14-9(13)12-6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKey
ARSNQYXDCVUAGE-UHFFFAOYSA-N
Compound name
ethyl N-(3-chloro-4-iodophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.89096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.89824 157.4
[M+Na]+ 379.88018 159.1
[M-H]- 355.88368 154.3
[M+NH4]+ 374.92478 171.4
[M+K]+ 395.85412 158.3
[M+H-H2O]+ 339.88822 149.0
[M+HCOO]- 401.88916 161.7
[M+CH3COO]- 415.90481 199.9
[M+Na-2H]- 377.86563 145.7
[M]+ 356.89041 157.7
[M]- 356.89151 157.7
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.