CID 211692

23517-58-0

Structural Information

Molecular Formula
C10H7ClINOS2
SMILES
CC1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)I)Cl
InChI
InChI=1S/C10H7ClINOS2/c1-5-9(14)13(10(15)16-5)6-2-3-8(12)7(11)4-6/h2-5H,1H3
InChIKey
COZLMIONBWJOIL-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-iodophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.87024 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.87752 157.8
[M+Na]+ 405.85946 162.7
[M-H]- 381.86296 157.2
[M+NH4]+ 400.90406 172.1
[M+K]+ 421.83340 161.9
[M+H-H2O]+ 365.86750 149.8
[M+HCOO]- 427.86844 161.2
[M+CH3COO]- 441.88409 201.9
[M+Na-2H]- 403.84491 143.6
[M]+ 382.86969 158.5
[M]- 382.87079 158.5
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.