CID 1013681

4-iodothiocarbanilide

Structural Information

Molecular Formula
C13H11IN2S
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)I
InChI
InChI=1S/C13H11IN2S/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)
InChIKey
WFIHWHMVEOICJH-UHFFFAOYSA-N
Compound name
1-(4-iodophenyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.96878 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.97606 167.2
[M+Na]+ 376.95800 166.5
[M-H]- 352.96150 166.3
[M+NH4]+ 372.00260 179.2
[M+K]+ 392.93194 167.1
[M+H-H2O]+ 336.96604 155.8
[M+HCOO]- 398.96698 182.3
[M+CH3COO]- 412.98263 202.8
[M+Na-2H]- 374.94345 159.1
[M]+ 353.96823 162.9
[M]- 353.96933 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.