CID 3032747

Carbanilic acid, 4-iodo-3-methyldithio-, ethyl ester

Structural Information

Molecular Formula
C10H12INS2
SMILES
CCSC(=S)NC1=CC(=C(C=C1)I)C
InChI
InChI=1S/C10H12INS2/c1-3-14-10(13)12-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey
IPTMKWJHBCIVDY-UHFFFAOYSA-N
Compound name
ethyl N-(4-iodo-3-methylphenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.9456 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.95288 158.1
[M+Na]+ 359.93482 158.9
[M-H]- 335.93832 154.7
[M+NH4]+ 354.97942 172.0
[M+K]+ 375.90876 159.4
[M+H-H2O]+ 319.94286 148.3
[M+HCOO]- 381.94380 166.2
[M+CH3COO]- 395.95945 199.2
[M+Na-2H]- 357.92027 146.0
[M]+ 336.94505 157.0
[M]- 336.94615 157.0
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.