CID 2759375

3-iodothiobenzamide

Structural Information

Molecular Formula
C7H6INS
SMILES
C1=CC(=CC(=C1)I)C(=S)N
InChI
InChI=1S/C7H6INS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
AKDKWPJNKCULKS-UHFFFAOYSA-N
Compound name
3-iodobenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

262.92657 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.93385 141.4
[M+Na]+ 285.91579 142.5
[M-H]- 261.91929 138.0
[M+NH4]+ 280.96039 157.4
[M+K]+ 301.88973 145.0
[M+H-H2O]+ 245.92383 132.2
[M+HCOO]- 307.92477 155.5
[M+CH3COO]- 321.94042 185.9
[M+Na-2H]- 283.90124 132.0
[M]+ 262.92602 137.5
[M]- 262.92712 137.5
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

patents stripe