CID 2759372

4-(4-iodophenyl)-3-thiosemicarbazide

Structural Information

Molecular Formula
C7H8IN3S
SMILES
C1=CC(=CC=C1NC(=S)NN)I
InChI
InChI=1S/C7H8IN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKey
CCSJNFXUPWXVKI-UHFFFAOYSA-N
Compound name
1-amino-3-(4-iodophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

292.94836 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.95564 154.5
[M+Na]+ 315.93758 154.0
[M-H]- 291.94108 150.9
[M+NH4]+ 310.98218 168.6
[M+K]+ 331.91152 156.1
[M+H-H2O]+ 275.94562 144.1
[M+HCOO]- 337.94656 170.1
[M+CH3COO]- 351.96221 194.1
[M+Na-2H]- 313.92303 145.4
[M]+ 292.94781 148.8
[M]- 292.94891 148.8
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

patents stripe